Geometry & MOs

Info

ID:	342892
PubChem CID:	127266055
Reduced:	SN3O4C15H21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	308.155849
ΔH_f, kcal/mol:	-69.17
Dipole, Da:	7.81
IP(EA), eV:	-8.63(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-7,7-dimethyl-1-oxo-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)N2CCC(S(=O)CC2)(C)C

DOS

IR

Vibrations