Geometry & MOs

Info

ID:	72076
PubChem CID:	48415787
Reduced:	SO2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	375.169525
ΔH_f, kcal/mol:	-23.95
Dipole, Da:	6.25
IP(EA), eV:	-8.71(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

DOS

IR

Vibrations