Geometry & MOs

Info

ID:	64520
PubChem CID:	29202752
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	483.197397
ΔH_f, kcal/mol:	-32.47
Dipole, Da:	4.62
IP(EA), eV:	-8.48(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=CN(N=C1C2=CC=CC=C2OC)C3=CC=CC=C3

DOS

IR

Vibrations