Geometry & MOs

Info

ID:	72379
PubChem CID:	48416106
Reduced:	FN2O5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	401.158685
ΔH_f, kcal/mol:	-227.79
Dipole, Da:	3.8
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations