Geometry & MOs

Info

ID:	346140
PubChem CID:	127270628
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	-130.19
Dipole, Da:	2.36
IP(EA), eV:	-9.36(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidocyclohexyl)-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)NC2CCC(CC2)NC(=O)C

DOS

IR

Vibrations