Geometry & MOs

Info

ID:	164961
PubChem CID:	74478403
Reduced:	NSO8C21H23 (1)
Stoich.:	ABC8D21E23 (1)
Weight, g/mol:	394.056075
ΔH_f, kcal/mol:	-247.75
Dipole, Da:	10.67
IP(EA), eV:	-8.46(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[[4-[3-(3,4-difluorophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)OC)OC

DOS

IR

Vibrations