Geometry & MOs

Info

ID:	411741
PubChem CID:	135084575
Reduced:	OSN5C41H41 (1)
Stoich.:	ABC5D41E41 (1)
Weight, g/mol:	635.12645
ΔH_f, kcal/mol:	82.73
Dipole, Da:	7.78
IP(EA), eV:	-8.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;(4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;rhodium(2+);hydroxide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@@H]1CN2CC[C@H]1CC2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)NC(=S)NC5=C(C6=CC=CC=C6C=C5)C7=C(C=CC8=CC=CC=C87)N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@@H]1CN2CC[C@H]1CC2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)NC(=S)NC5=C(C6=CC=CC=C6C=C5)C7=C(C=CC8=CC=CC=C87)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):