Geometry & MOs

Info

ID:	63274
PubChem CID:	26750427
Reduced:	ClNO6C21H22 (1)
Stoich.:	ABC6D21E22 (1)
Weight, g/mol:	387.148201
ΔH_f, kcal/mol:	-195.52
Dipole, Da:	7.68
IP(EA), eV:	-8.32(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)OC(=O)/C=C/C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations