Geometry & MOs

Info

ID:	237384
PubChem CID:	92719004
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	497.209676
ΔH_f, kcal/mol:	-4.55
Dipole, Da:	5.15
IP(EA), eV:	-9.11(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)C

DOS

IR

Vibrations