Geometry & MOs

Info

ID:	330472
PubChem CID:	127247879
Reduced:	SN4O5C13H24 (1)
Stoich.:	AB4C5D13E24 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-208.11
Dipole, Da:	6.97
IP(EA), eV:	-9.22(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC(C1)C(=O)N)CC(=O)N2CCOCC2

DOS

IR

Vibrations