Geometry & MOs

Info

ID:	358573
PubChem CID:	127296262
Reduced:	SO2N4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	296.130697
ΔH_f, kcal/mol:	-23.82
Dipole, Da:	7.55
IP(EA), eV:	-8.6(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]ethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C(C)S(=O)C2=NNC(=N2)C3CC3

DOS

IR

Vibrations