Geometry & MOs

Info

ID:	33282
PubChem CID:	7885813
Reduced:	OSN2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	415.135448
ΔH_f, kcal/mol:	-17.32
Dipole, Da:	4.85
IP(EA), eV:	-8.99(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzhydryl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide

Drug info:

PubChemData

Smile

C=CCN1C(=O)C2=C(N=C1SCC(=O)NCCC#N)SC3=C2CCCC3

DOS

IR

Vibrations