Geometry & MOs

Info

ID:	63616
PubChem CID:	26758779
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	416.121966
ΔH_f, kcal/mol:	-169.72
Dipole, Da:	4.49
IP(EA), eV:	-8.5(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations