Geometry & MOs

Info

ID:	33285
PubChem CID:	7885833
Reduced:	NSO2C10H10 (2)
Stoich.:	ABC2D10E10 (2)
Weight, g/mol:	373.065176
ΔH_f, kcal/mol:	-88.46
Dipole, Da:	2.33
IP(EA), eV:	-8.64(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-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

COC(=O)C1=CC=C(O1)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C

DOS

IR

Vibrations