Geometry & MOs

Info

ID:	63617
PubChem CID:	26758780
Reduced:	NO4C10H10 (2)
Stoich.:	AB4C10D10 (2)
Weight, g/mol:	419.03684
ΔH_f, kcal/mol:	-199.11
Dipole, Da:	4.81
IP(EA), eV:	-8.69(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations