Geometry & MOs

Info

ID:	120936
PubChem CID:	50751134
Reduced:	OSN4C10H11 (2)
Stoich.:	ABC4D10E11 (2)
Weight, g/mol:	474.158643
ΔH_f, kcal/mol:	42.4
Dipole, Da:	8.68
IP(EA), eV:	-9.12(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-ylmethyl)-2-[[4-methyl-5-[(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C)CC3=C(N=C4C=C(C=CN4C3=O)C)C

DOS

IR

Vibrations