Geometry & MOs

Info

ID:	152430
PubChem CID:	56311357
Reduced:	SN3O4C26H35 (1)
Stoich.:	AB3C4D26E35 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-117.54
Dipole, Da:	6.25
IP(EA), eV:	-9.23(-0.76)
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-[cyclopropylmethyl(1-phenylethyl)amino]ethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN(CC3CC3)C(C)C4=CC=CC=C4

DOS

IR

Vibrations