Geometry & MOs

Info

ID:	346179
PubChem CID:	127270670
Reduced:	O2S2N3C16H27 (1)
Stoich.:	A2B2C3D16E27 (1)
Weight, g/mol:	396.219512
ΔH_f, kcal/mol:	-113.83
Dipole, Da:	3.23
IP(EA), eV:	-8.68(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)N3CCSCC3

DOS

IR

Vibrations