Geometry & MOs

Info

ID:	203331
PubChem CID:	79814343
Reduced:	ClNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	373.03473
ΔH_f, kcal/mol:	-181.25
Dipole, Da:	4.97
IP(EA), eV:	-9.45(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-2-ethylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)O)NC(=O)COC1=C(C=C(C=C1)Cl)C

DOS

IR

Vibrations