Geometry & MOs

Info

ID:	230007
PubChem CID:	87569863
Reduced:	ClNO5C18H22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	454.119858
ΔH_f, kcal/mol:	-160.68
Dipole, Da:	6.48
IP(EA), eV:	-8.84(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-[phenoxy(phenyl)sulfamoyl]benzoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C(=O)C2(CC(=NC=C2Cl)OC)C)OC)OC)OC

DOS

IR

Vibrations