Geometry & MOs

Info

ID:	391737
PubChem CID:	135009117
Reduced:	N2O3H18C19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	425.0474
ΔH_f, kcal/mol:	13.04
Dipole, Da:	4.27
IP(EA), eV:	-8.83(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,2S,3S)-4-bromo-3-[(4-methoxybenzoyl)amino]cyclohex-4-ene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCC(C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations