Geometry & MOs

Info

ID:	157500
PubChem CID:	56431960
Reduced:	SN2F3O5C22H23 (1)
Stoich.:	AB2C3D5E22F23 (1)
Weight, g/mol:	422.097014
ΔH_f, kcal/mol:	-312.82
Dipole, Da:	7.86
IP(EA), eV:	-8.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]sulfanylacetate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=C3C(=CC=C2)OCCO3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations