Geometry & MOs

Info

ID:	72378
PubChem CID:	48416105
Reduced:	NO2C7H9 (3)
Stoich.:	AB2C7D9 (3)
Weight, g/mol:	416.17475
ΔH_f, kcal/mol:	-201.03
Dipole, Da:	5.46
IP(EA), eV:	-8.64(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=NN(C(=O)C=C2)CCOC)C(=O)OC

DOS

IR

Vibrations