Geometry & MOs

Info

ID:	38098
PubChem CID:	8027001
Reduced:	N3O4C15H19 (1)
Stoich.:	A3B4C15D19 (1)
Weight, g/mol:	359.105211
ΔH_f, kcal/mol:	-111.96
Dipole, Da:	0.83
IP(EA), eV:	-9.29(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOCCCNC(=O)COC(=O)C1=NNC2=CC=CC=C21

DOS

IR

Vibrations