Geometry & MOs

Info

ID:	33343
PubChem CID:	7886020
Reduced:	SO3N4C15H16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	379.081305
ΔH_f, kcal/mol:	-69.82
Dipole, Da:	4.61
IP(EA), eV:	-8.59(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]benzonitrile

Drug info:

PubChemData

Smile

C=CCNC(=O)NC(=O)CN1C=NC2=C(C1=O)C3=C(S2)CCC3

DOS

IR

Vibrations