Geometry & MOs

Info

ID:	376237
PubChem CID:	134222247
Reduced:	NO4C18H27 (1)
Stoich.:	AB4C18D27 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	-180.69
Dipole, Da:	2.31
IP(EA), eV:	-9.31(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyano-5-hydroxy-3-methylphenyl)-N-(3,3-diethoxypropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CC(O1)COCC2=CC=CC=C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations