Geometry & MOs

Info

ID:	344768
PubChem CID:	127268356
Reduced:	NS2O4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	314.141262
ΔH_f, kcal/mol:	-104.74
Dipole, Da:	5.61
IP(EA), eV:	-8.73(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxolan-2-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C)S(=O)(=O)C2=CC=CC3=C2OCCO3

DOS

IR

Vibrations