Geometry & MOs

Info

ID:	72401
PubChem CID:	48416134
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	377.143864
ΔH_f, kcal/mol:	-138.64
Dipole, Da:	2.53
IP(EA), eV:	-8.76(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2,5-difluorobenzoyl)amino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CCC2=CN=CC=C2)C(=O)OC

DOS

IR

Vibrations