Geometry & MOs

Info

ID:	192781
PubChem CID:	78312022
Reduced:	ClO2N6C30H33 (1)
Stoich.:	AB2C6D30E33 (1)
Weight, g/mol:	438.14741
ΔH_f, kcal/mol:	36.55
Dipole, Da:	7.79
IP(EA), eV:	-8.95(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-N-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2NC3C(C(=O)N2)NNN3CC4=CC=CC=C4Cl)C(=O)C(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations