Geometry & MOs

Info

ID:	243206
PubChem CID:	99216963
Reduced:	N2S2O3C20H30 (1)
Stoich.:	A2B2C3D20E30 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-133.74
Dipole, Da:	8.75
IP(EA), eV:	-9.07(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-tert-butyl-2-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCSCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations