Geometry & MOs

Info

ID:	33362
PubChem CID:	7886090
Reduced:	O2S2N3C21H27 (1)
Stoich.:	A2B2C3D21E27 (1)
Weight, g/mol:	338.108899
ΔH_f, kcal/mol:	-49.59
Dipole, Da:	3.75
IP(EA), eV:	-8.54(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1C(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C

DOS

IR

Vibrations