Geometry & MOs

Info

ID:	356055
PubChem CID:	127291091
Reduced:	O3N4C18H32 (1)
Stoich.:	A3B4C18D32 (1)
Weight, g/mol:	244.124549
ΔH_f, kcal/mol:	-172.12
Dipole, Da:	4.95
IP(EA), eV:	-9.25(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC2CCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations