Geometry & MOs

Info

ID:	283098
PubChem CID:	103958123
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	317.022163
ΔH_f, kcal/mol:	-170.12
Dipole, Da:	5.21
IP(EA), eV:	-9.31(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]amino]-2-hydroxypropanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCC(=O)NCC(C(=O)OC)O

DOS

IR

Vibrations