Geometry & MOs

Info

ID:	245293
PubChem CID:	99443260
Reduced:	N2O3S3C22H24 (1)
Stoich.:	A2B3C3D22E24 (1)
Weight, g/mol:	452.10535
ΔH_f, kcal/mol:	-47.56
Dipole, Da:	3.69
IP(EA), eV:	-9.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-fluoro-3-(prop-2-enylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CS3

DOS

IR

Vibrations