Geometry & MOs

Info

ID:	366053
PubChem CID:	127319369
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	260.119464
ΔH_f, kcal/mol:	-86.23
Dipole, Da:	4.24
IP(EA), eV:	-8.74(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(1-methylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)NC(=O)C2CCNC(=O)C3CCCN3C

DOS

IR

Vibrations