Geometry & MOs

Info

ID:	278185
PubChem CID:	103833924
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	339.047812
ΔH_f, kcal/mol:	-96.03
Dipole, Da:	5.28
IP(EA), eV:	-9.84(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)S(=O)(=O)NC2CCCCC2O

DOS

IR

Vibrations