Geometry & MOs

Info

ID:	35894
PubChem CID:	7980460
Reduced:	ClNO5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	-164.83
Dipole, Da:	3.95
IP(EA), eV:	-9.86(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]acetate

Drug info:

PubChemData

Smile

C[C@H](C(C)C)NC(=O)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl

DOS

IR

Vibrations