Geometry & MOs

Info

ID:	68307
PubChem CID:	46508158
Reduced:	SO3N6C24H28 (1)
Stoich.:	AB3C6D24E28 (1)
Weight, g/mol:	469.175004
ΔH_f, kcal/mol:	-41.6
Dipole, Da:	1.67
IP(EA), eV:	-9.07(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)C3=CC(=NC4=C3C=NN4C(C)C)C5=CC=C(S5)C

DOS

IR

Vibrations