Geometry & MOs

Info

ID:	291510
PubChem CID:	112989912
Reduced:	SN3O3H19C21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	378.078263
ΔH_f, kcal/mol:	-20.09
Dipole, Da:	6.76
IP(EA), eV:	-8.68(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3C#N

DOS

IR

Vibrations