Geometry & MOs

Info

ID:	82276
PubChem CID:	49855837
Reduced:	ClN2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-94.27
Dipole, Da:	4.0
IP(EA), eV:	-9.64(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)sulfonyl-N-hydroxy-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2CC3=C(C2)C(=CC(=C3)C(=O)NO)Cl

DOS

IR

Vibrations