Geometry & MOs

Info

ID:	62202
PubChem CID:	26718122
Reduced:	ClSN2O4H21C23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	422.130028
ΔH_f, kcal/mol:	-104.39
Dipole, Da:	3.56
IP(EA), eV:	-8.72(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Cl)NC(=O)C3=CC=CS3

DOS

IR

Vibrations