Geometry & MOs

Info

ID:	145358
PubChem CID:	53508364
Reduced:	SN3O4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-99.39
Dipole, Da:	8.11
IP(EA), eV:	-9.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-methyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C2CCCN2C(=O)NC3=CC(=CC=C3)S(=O)(=O)C4CCCC4

DOS

IR

Vibrations