Geometry & MOs

Info

ID:	142346
PubChem CID:	53019428
Reduced:	BrSN3O3H16C17 (1)
Stoich.:	ABC3D3E16F17 (1)
Weight, g/mol:	362.188881
ΔH_f, kcal/mol:	-65.95
Dipole, Da:	2.37
IP(EA), eV:	-8.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CCC1=CSC2=NC(=C(C(=O)N12)NC(=O)C3=C(C=CC(=C3)OC)Br)C

DOS

IR

Vibrations