Geometry & MOs

Info

ID:	182840
PubChem CID:	76944084
Reduced:	SN2O5C9H12 (1)
Stoich.:	AB2C5D9E12 (1)
Weight, g/mol:	311.092436
ΔH_f, kcal/mol:	-183.92
Dipole, Da:	1.87
IP(EA), eV:	-10.68(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chloro-4-methylphenyl)prop-2-enoylamino]-4-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1CC(=O)O)CS(=O)(=O)C

DOS

IR

Vibrations