Geometry & MOs

Info

ID:	413996
PubChem CID:	135086949
Reduced:	N4H17C19 (1)
Stoich.:	A4B17C19 (1)
Weight, g/mol:	347.049526
ΔH_f, kcal/mol:	148.93
Dipole, Da:	4.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.148652
Charge, e:	0

Chem-info

IUPAC name:

N'-[(Z)-(6-chloroindol-3-ylidene)methyl]-4-methylbenzenesulfonohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N=[N+]=[N-])C2=C[N+](=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations