Geometry & MOs

Info

ID:	346175
PubChem CID:	127270666
Reduced:	SN3O3C19H33 (1)
Stoich.:	AB3C3D19E33 (1)
Weight, g/mol:	371.17012
ΔH_f, kcal/mol:	-167.16
Dipole, Da:	5.78
IP(EA), eV:	-8.78(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCCO1)C(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations