Geometry & MOs

Info

ID:	231592
PubChem CID:	87574255
Reduced:	NSO4C6H11 (1)
Stoich.:	ABC4D6E11 (1)
Weight, g/mol:	590.091932
ΔH_f, kcal/mol:	-159.3
Dipole, Da:	1.86
IP(EA), eV:	-8.68(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[1-[4-(cyanomethylamino)-6-methyl-1,3,5-triazin-2-yl]benzimidazol-2-yl]amino]phenyl]-3-(3,5-dichlorophenyl)sulfanylurea

Drug info:

PubChemData

Smile

CS(=O)CC[C@@H](C(=O)O)NC=O

DOS

IR

Vibrations