Geometry & MOs

Info

ID:	140454
PubChem CID:	52700382
Reduced:	BrNSO4H14C15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	394.146347
ΔH_f, kcal/mol:	-114.38
Dipole, Da:	3.28
IP(EA), eV:	-8.85(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations