Geometry & MOs

Info

ID:	43596
PubChem CID:	10321516
Reduced:	SN4O5H18C22 (1)
Stoich.:	AB4C5D18E22 (1)
Weight, g/mol:	450.180424
ΔH_f, kcal/mol:	-47.68
Dipole, Da:	4.81
IP(EA), eV:	-9.54(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-methyl-N-[4-[(2-methyl-3H-benzimidazole-5-carbonyl)amino]phenyl]quinoline-6-carboxamide

Drug info:

PubChemData

Smile

CN(C1=C(C=NC2=CC=CC=C21)C(=O)NO)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=NC=C4

DOS

IR

Vibrations