Geometry & MOs

Info

ID:	52543
PubChem CID:	12015454
Reduced:	NOC12H14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	588.0967
ΔH_f, kcal/mol:	-25.19
Dipole, Da:	1.12
IP(EA), eV:	-9.34(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

copper(1+);(4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole;trifluoromethanesulfonate

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)[C@H]1COC(=N1)C2=CC=CC=C2C3=CC=CC=C3C4=N[C@H](CO4)C(C)C

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)[C@H]1COC(=N1)C2=CC=CC=C2C3=CC=CC=C3C4=N[C@H](CO4)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):