Geometry & MOs

Info

ID:	159149
PubChem CID:	57261333
Reduced:	NSO3C8H13 (1)
Stoich.:	ABC3D8E13 (1)
Weight, g/mol:	451.167811
ΔH_f, kcal/mol:	-128.89
Dipole, Da:	7.27
IP(EA), eV:	-9.05(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[amino-[[5-(cyclohexylsulfonylamino)-2-phenylquinolin-4-yl]amino]methylidene]formamide

Drug info:

PubChemData

Smile

CCCC(=O)NC(=CSC)C(=O)O

DOS

IR

Vibrations