Geometry & MOs

Info

ID:	177949
PubChem CID:	76256830
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	389.098017
ΔH_f, kcal/mol:	-96.74
Dipole, Da:	7.06
IP(EA), eV:	-8.63(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CNC(=O)CN2C(=O)C3C=CC=CC3=NC2=O)N4CCCCC4

DOS

IR

Vibrations