Geometry & MOs

Info

ID:	63250
PubChem CID:	26750339
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	373.132551
ΔH_f, kcal/mol:	-190.46
Dipole, Da:	2.44
IP(EA), eV:	-8.32(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)/C=C/C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations