Geometry & MOs

Info

ID:	237672
PubChem CID:	92720559
Reduced:	S2N4O4C21H26 (1)
Stoich.:	A2B4C4D21E26 (1)
Weight, g/mol:	462.139548
ΔH_f, kcal/mol:	-103.33
Dipole, Da:	6.87
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N[C@@H](C)C3=CC=CC=C3OC

DOS

IR

Vibrations