Geometry & MOs

Info

ID:	359741
PubChem CID:	127299688
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	388.14905
ΔH_f, kcal/mol:	-58.83
Dipole, Da:	6.34
IP(EA), eV:	-8.21(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-2-(1,4-thiazepane-4-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC4=C(CCCC4)NC3=O

DOS

IR

Vibrations