Geometry & MOs

Info

ID:	61690
PubChem CID:	26711823
Reduced:	N2S2O5C20H30 (1)
Stoich.:	A2B2C5D20E30 (1)
Weight, g/mol:	428.176979
ΔH_f, kcal/mol:	-201.29
Dipole, Da:	7.11
IP(EA), eV:	-8.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-cycloheptyl-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)NC1CCCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations