Geometry & MOs

Info

ID:	245578
PubChem CID:	99454985
Reduced:	NSO5C21H27 (1)
Stoich.:	ABC5D21E27 (1)
Weight, g/mol:	474.118418
ΔH_f, kcal/mol:	-181.21
Dipole, Da:	7.85
IP(EA), eV:	-8.62(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-1-(4-methylphenyl)-5-oxo-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]-2-thiophen-2-ylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1S(=O)(=O)N2CCC[C@@H]2C3=C(C=C(C=C3)OC)OC)C)OC

DOS

IR

Vibrations