Geometry & MOs

Info

ID:	361746
PubChem CID:	127304562
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	391.218115
ΔH_f, kcal/mol:	-53.93
Dipole, Da:	2.26
IP(EA), eV:	-9.65(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-tert-butylphenyl)cyclohexyl]-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C(C2=CC=CC=C2)N3C=CC=N3

DOS

IR

Vibrations