Geometry & MOs

Info

ID:	41568
PubChem CID:	8146347
Reduced:	N2O4C16H21 (1)
Stoich.:	A2B4C16D21 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-125.3
Dipole, Da:	3.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779324
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-4-methylsulfanyl-1-oxo-1-[(2Z)-2-(1-phenylpropan-2-ylidene)hydrazinyl]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C3=CC=CC=C3OC2=O

DOS

IR

Vibrations