Geometry & MOs

Info

ID:	393315
PubChem CID:	135020082
Reduced:	O2N4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	1516.46732
ΔH_f, kcal/mol:	-28.36
Dipole, Da:	4.95
IP(EA), eV:	-8.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[4-(4-diphenylphosphaniumylphenyl)phenyl]-diphenylphosphanium;gold(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole

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

COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@H]3CC4CCN3CC4C=C)NC(=O)[C@@H]5CCCN5

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

COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@H]3CC4CCN3CC4C=C)NC(=O)[C@@H]5CCCN5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):