Geometry & MOs

Info

ID:	35851
PubChem CID:	7980404
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	373.03136
ΔH_f, kcal/mol:	-170.99
Dipole, Da:	5.3
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations