Geometry & MOs

Info

ID:	62201
PubChem CID:	26718118
Reduced:	SO3N4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	456.091056
ΔH_f, kcal/mol:	-81.15
Dipole, Da:	4.18
IP(EA), eV:	-8.61(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chlorobenzoyl)amino]phenyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations