Geometry & MOs

Info

ID:	351122
PubChem CID:	127279680
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-25.81
Dipole, Da:	0.56
IP(EA), eV:	-9.3(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)NC(=O)C2=CC3=C(S2)CCOC3

DOS

IR

Vibrations