Geometry & MOs

Info

ID:	67769
PubChem CID:	46507130
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	358.055818
ΔH_f, kcal/mol:	-34.85
Dipole, Da:	4.45
IP(EA), eV:	-8.88(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(2-ethoxyphenyl)methyl]-12-sulfanylidene-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-7-one

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N4C1=NNC4=S

DOS

IR

Vibrations