Geometry & MOs

Info

ID:	350675
PubChem CID:	127278963
Reduced:	SN4O4C17H22 (1)
Stoich.:	AB4C4D17E22 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-122.59
Dipole, Da:	10.15
IP(EA), eV:	-8.77(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(CO2)NC(=O)CNS(=O)(=O)C3=CN(C(=N3)C)C)C

DOS

IR

Vibrations