Geometry & MOs

Info

ID:	82432
PubChem CID:	49856024
Reduced:	SN2O5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	413.096476
ΔH_f, kcal/mol:	-100.64
Dipole, Da:	5.64
IP(EA), eV:	-9.1(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-N-hydroxy-4,4-dimethyl-1,3-dihydroisoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=C(CC3)C=C(C=C4)C(=O)NO

DOS

IR

Vibrations