Geometry & MOs

Info

ID:	63876
PubChem CID:	26759395
Reduced:	NO4C10H11 (2)
Stoich.:	AB4C10D11 (2)
Weight, g/mol:	421.05249
ΔH_f, kcal/mol:	-211.38
Dipole, Da:	4.81
IP(EA), eV:	-8.46(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations