Geometry & MOs

Info

ID:	360932
PubChem CID:	127301763
Reduced:	N2S2O5C16H24 (1)
Stoich.:	A2B2C5D16E24 (1)
Weight, g/mol:	363.0599
ΔH_f, kcal/mol:	-207.0
Dipole, Da:	7.75
IP(EA), eV:	-9.81(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCS(=O)(=O)CC2)C

DOS

IR

Vibrations