Geometry & MOs

Info

ID:	63260
PubChem CID:	26750395
Reduced:	ClNO5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	415.163102
ΔH_f, kcal/mol:	-161.14
Dipole, Da:	3.38
IP(EA), eV:	-8.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)/C=C/C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations