Geometry & MOs

Info

ID:	167742
PubChem CID:	74868064
Reduced:	ClO2N3H10C15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	293.108565
ΔH_f, kcal/mol:	34.75
Dipole, Da:	9.66
IP(EA), eV:	-9.93(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)NC2=CC3=NC(=O)N=C3C=C2)Cl

DOS

IR

Vibrations