Geometry & MOs

Info

ID:	73732
PubChem CID:	48420121
Reduced:	FSN4O4H17C18 (1)
Stoich.:	ABC4D4E17F18 (1)
Weight, g/mol:	412.120526
ΔH_f, kcal/mol:	-115.12
Dipole, Da:	10.54
IP(EA), eV:	-9.39(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCCN3C=NC=N3)F

DOS

IR

Vibrations