Geometry & MOs

Info

ID:	35405
PubChem CID:	7979814
Reduced:	ClN2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	408.091056
ΔH_f, kcal/mol:	-55.88
Dipole, Da:	3.49
IP(EA), eV:	-9.38(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(4-chlorophenyl)sulfanylbutanoyl]-3,5-dimethoxybenzohydrazide

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)COC1=C(C=C(C=C1)Cl)[N+](=O)[O-])C2=CC=CC=C2

DOS

IR

Vibrations