Geometry & MOs

Info

ID:	66257
PubChem CID:	46501204
Reduced:	ClSN3O4H28C30 (1)
Stoich.:	ABC3D4E28F30 (1)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	-48.87
Dipole, Da:	3.59
IP(EA), eV:	-8.52(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[4-oxo-4-(pyridin-3-ylmethylamino)butan-2-ylidene]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(CC(=O)N/N=C/C2=CC=CC=C2OCC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations