Geometry & MOs

Info

ID:	68873
PubChem CID:	46510670
Reduced:	FN2S2O3H19C21 (1)
Stoich.:	AB2C2D3E19F21 (1)
Weight, g/mol:	482.14061
ΔH_f, kcal/mol:	-104.0
Dipole, Da:	5.06
IP(EA), eV:	-8.86(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3-amino-3-oxopropyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)SCC3=CSC(=N3)C)F

DOS

IR

Vibrations