Geometry & MOs

Info

ID:	361755
PubChem CID:	127304571
Reduced:	NSO3C14H25 (1)
Stoich.:	ABC3D14E25 (1)
Weight, g/mol:	323.119129
ΔH_f, kcal/mol:	-165.05
Dipole, Da:	7.11
IP(EA), eV:	-9.95(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-[1-(2-methoxyphenyl)cyclopropyl]methanone

Drug info:

PubChemData

Smile

CC1CCCC(C1)CC(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations