Geometry & MOs

Info

ID:	71981
PubChem CID:	48415682
Reduced:	SO3N4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	361.142641
ΔH_f, kcal/mol:	-55.04
Dipole, Da:	6.73
IP(EA), eV:	-9.2(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations