Geometry & MOs

Info

ID:	33321
PubChem CID:	7885960
Reduced:	OSN2C10H13 (2)
Stoich.:	ABC2D10E13 (2)
Weight, g/mol:	338.108899
ΔH_f, kcal/mol:	-43.76
Dipole, Da:	5.11
IP(EA), eV:	-8.91(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-(4-ethylphenyl)-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

CC1=C(SC2=C1C(=O)N(C(=N2)S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC=C)C

DOS

IR

Vibrations