Geometry & MOs

Info

ID:	330474
PubChem CID:	127247881
Reduced:	SN3O4C13H25 (1)
Stoich.:	AB3C4D13E25 (1)
Weight, g/mol:	324.161997
ΔH_f, kcal/mol:	-177.97
Dipole, Da:	3.02
IP(EA), eV:	-8.88(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-4-yl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCN(CC(C1)C(=O)N)C2CCOCC2

DOS

IR

Vibrations