Geometry & MOs

Info

ID:	183425
PubChem CID:	77021591
Reduced:	NSO3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	265.077265
ΔH_f, kcal/mol:	-108.17
Dipole, Da:	10.42
IP(EA), eV:	-8.97(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methyl-4-[(2-methylsulfanylacetyl)amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C=CC(=O)O)NC(=O)C2CCCS2

DOS

IR

Vibrations