Geometry & MOs

Info

ID:	192430
PubChem CID:	78268891
Reduced:	S2O3N4H13C17 (1)
Stoich.:	A2B3C4D13E17 (1)
Weight, g/mol:	365.246713
ΔH_f, kcal/mol:	45.48
Dipole, Da:	11.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767101
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-tert-butylcyclohexen-1-yl)-4-(2,5-dimethylpyrrol-1-yl)benzohydrazide

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC=CS3

DOS

IR

Vibrations