Geometry & MOs

Info

ID:	71811
PubChem CID:	48415480
Reduced:	SO2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-25.33
Dipole, Da:	4.83
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CC3C(=O)NC4=CC=CC=C4S3

DOS

IR

Vibrations