Geometry & MOs

Info

ID:	33542
PubChem CID:	7886923
Reduced:	SN2O5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	383.112605
ΔH_f, kcal/mol:	-108.42
Dipole, Da:	4.59
IP(EA), eV:	-9.08(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-N-propan-2-yl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C#N)OCC(=O)C2=CC=C(S2)CC(=O)N3CCOCC3

DOS

IR

Vibrations