Geometry & MOs

Info

ID:	72327
PubChem CID:	48416050
Reduced:	SO3N4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	393.160103
ΔH_f, kcal/mol:	7.33
Dipole, Da:	4.88
IP(EA), eV:	-8.89(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

DOS

IR

Vibrations