Geometry & MOs

Info

ID:	33034
PubChem CID:	7850432
Reduced:	O4N5C21H25 (1)
Stoich.:	A4B5C21D25 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-33.78
Dipole, Da:	4.93
IP(EA), eV:	-8.44(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(C)C(=O)CN2N=C(N=N2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations