Geometry & MOs

Info

ID:	396880
PubChem CID:	135029383
Reduced:	NSO4C19H27 (1)
Stoich.:	ABC4D19E27 (1)
Weight, g/mol:	403.128054
ΔH_f, kcal/mol:	-166.81
Dipole, Da:	4.63
IP(EA), eV:	-9.15(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(benzimidazol-1-yl)-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CCC(C1(C)C)CC(C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)O

DOS

IR

Vibrations