Geometry & MOs

Info

ID:	217432
PubChem CID:	85087809
Reduced:	NBr2O3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	363.070264
ΔH_f, kcal/mol:	-78.35
Dipole, Da:	4.15
IP(EA), eV:	-9.46(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-cyano-3-[2-(methoxycarbonylamino)-5-nitrophenyl]but-2-enedioate

Drug info:

PubChemData

Smile

COC(=O)C(=C(C1=CC=CC=C1Br)Br)NC=O

DOS

IR

Vibrations