Geometry & MOs

Info

ID:	197538
PubChem CID:	78975210
Reduced:	ClNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-170.02
Dipole, Da:	3.88
IP(EA), eV:	-10.06(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-methyl-2-[3-(3-methylthiophen-2-yl)prop-2-enoylamino]pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations