Geometry & MOs

Info

ID:	72519
PubChem CID:	48416263
Reduced:	NF2O4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-243.53
Dipole, Da:	5.47
IP(EA), eV:	-8.77(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(benzimidazol-1-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations