Geometry & MOs

Info

ID:	361747
PubChem CID:	127304563
Reduced:	NSO3C22H33 (1)
Stoich.:	ABC3D22E33 (1)
Weight, g/mol:	334.109962
ΔH_f, kcal/mol:	-149.32
Dipole, Da:	4.03
IP(EA), eV:	-9.4(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(5-methyl-1-phenyltriazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2(CCCCC2)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations