Geometry & MOs

Info

ID:	63534
PubChem CID:	26758571
Reduced:	FNO4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	387.148201
ΔH_f, kcal/mol:	-193.71
Dipole, Da:	5.37
IP(EA), eV:	-8.42(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations