Geometry & MOs

Info

ID:	278173
PubChem CID:	103833870
Reduced:	ClNSO3C14H22 (1)
Stoich.:	ABCD3E14F22 (1)
Weight, g/mol:	261.114713
ΔH_f, kcal/mol:	-145.98
Dipole, Da:	6.34
IP(EA), eV:	-9.59(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)S(=O)(=O)NC(CCO)C(C)(C)C

DOS

IR

Vibrations