Geometry & MOs

Info

ID:	213148
PubChem CID:	81063024
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	315.042899
ΔH_f, kcal/mol:	-106.17
Dipole, Da:	3.65
IP(EA), eV:	-8.76(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC=CC2=C1NC=C2

DOS

IR

Vibrations