Geometry & MOs

Info

ID:	56582
PubChem CID:	17436428
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	425.061632
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	4.46
IP(EA), eV:	-8.97(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=NNC(=N2)C3=CC=C(C=C3)C

DOS

IR

Vibrations