Geometry & MOs

Info

ID:	307653
PubChem CID:	125307924
Reduced:	ON2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	208.041882
ΔH_f, kcal/mol:	61.21
Dipole, Da:	8.03
IP(EA), eV:	-9.4(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R)-12-methylidene-10-thia-1,3,4,8-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3-dien-7-one

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CN=CC(=C1)C2=CC3=C(CN=C3N=C2)C4=CC=CC=C4OC

DOS

IR

Vibrations