Geometry & MOs

Info

ID:	344995
PubChem CID:	127268755
Reduced:	N2S2O5C16H24 (1)
Stoich.:	A2B2C5D16E24 (1)
Weight, g/mol:	328.156912
ΔH_f, kcal/mol:	-165.7
Dipole, Da:	5.25
IP(EA), eV:	-9.6(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1CCCO1)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations