Geometry & MOs

Info

ID:	371127
PubChem CID:	127342571
Reduced:	O2N3C15H25 (1)
Stoich.:	A2B3C15D25 (1)
Weight, g/mol:	257.119798
ΔH_f, kcal/mol:	-112.34
Dipole, Da:	1.45
IP(EA), eV:	-9.34(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-2-oxopyrrolidin-3-yl)-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(C1=O)NC(=O)N2CCC3(CCCC3)CC2

DOS

IR

Vibrations