Geometry & MOs

Info

ID:	72389
PubChem CID:	48416118
Reduced:	N2O5C18H22 (1)
Stoich.:	A2B5C18D22 (1)
Weight, g/mol:	416.17475
ΔH_f, kcal/mol:	-142.94
Dipole, Da:	2.11
IP(EA), eV:	-8.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC(=NO2)C)C(=O)OC

DOS

IR

Vibrations