Geometry & MOs

Info

ID:	72536
PubChem CID:	48416280
Reduced:	NF2O5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	404.231122
ΔH_f, kcal/mol:	-266.03
Dipole, Da:	3.49
IP(EA), eV:	-8.92(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)COC2=C(C=C(C=C2)F)F)C(=O)OC

DOS

IR

Vibrations