Geometry & MOs

Info

ID:	63714
PubChem CID:	26759031
Reduced:	FSN3O4C24H26 (1)
Stoich.:	ABC3D4E24F26 (1)
Weight, g/mol:	365.107479
ΔH_f, kcal/mol:	-135.54
Dipole, Da:	9.3
IP(EA), eV:	-8.38(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)NC3=CC=CC=C3OC

DOS

IR

Vibrations