Geometry & MOs

Info

ID:	213822
PubChem CID:	81065145
Reduced:	SN2O4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	309.113171
ΔH_f, kcal/mol:	-162.49
Dipole, Da:	6.08
IP(EA), eV:	-9.54(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCNC(=O)C1=CSC=C1

DOS

IR

Vibrations