Geometry & MOs

Info

ID:	178251
PubChem CID:	76304758
Reduced:	SN4O5C19H28 (1)
Stoich.:	AB4C5D19E28 (1)
Weight, g/mol:	431.144967
ΔH_f, kcal/mol:	-210.43
Dipole, Da:	10.07
IP(EA), eV:	-8.98(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-trien-10-yl)methylsulfanyl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N=C2CCCN2C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations