Geometry & MOs

Info

ID:	411988
PubChem CID:	135084851
Reduced:	OSN4C25H34 (1)
Stoich.:	ABC4D25E34 (1)
Weight, g/mol:	697.428404
ΔH_f, kcal/mol:	4.82
Dipole, Da:	8.65
IP(EA), eV:	-8.1(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;diphenylazanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;oxolane

Drug info:

PubChemData

Smile

CC(C)(C)NC(=S)N[C@H](C1CC2CCN1CC2C=C)C3=C4C=C(C=CC4=NC=C3)OC

DOS

IR

Vibrations