Geometry & MOs

Info

ID:	195414
PubChem CID:	78683481
Reduced:	SN3O3C22H35 (1)
Stoich.:	AB3C3D22E35 (1)
Weight, g/mol:	407.095807
ΔH_f, kcal/mol:	-133.19
Dipole, Da:	8.77
IP(EA), eV:	-8.9(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylprop-2-enyl 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCCC(C3)C

DOS

IR

Vibrations