Geometry & MOs

Info

ID:	162388
PubChem CID:	57394517
Reduced:	NSCl2O5C26H27 (1)
Stoich.:	ABC2D5E26F27 (1)
Weight, g/mol:	200.046489
ΔH_f, kcal/mol:	-170.21
Dipole, Da:	4.84
IP(EA), eV:	-9.3(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(diaminomethylidene)pyridine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)CC(C2=CC=CC=C2)OS(=O)(=O)C3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations