Geometry & MOs

Info

ID:	156388
PubChem CID:	56370395
Reduced:	OS3N5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	449.152161
ΔH_f, kcal/mol:	49.99
Dipole, Da:	5.53
IP(EA), eV:	-8.54(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NN=C(N4C)C(C)C

DOS

IR

Vibrations