Geometry & MOs

Info

ID:	173895
PubChem CID:	75694358
Reduced:	NO9C26H26 (1)
Stoich.:	AB9C26D26 (1)
Weight, g/mol:	507.170216
ΔH_f, kcal/mol:	-286.03
Dipole, Da:	3.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.039126
Charge, e:	-1

Chem-info

IUPAC name:

2-[[2-[2-[5-(4-ethoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)[O-])OC1C(C(OC2C1OC(OC2)C3=CC=CO3)OC4=CC5=CC=CC=C5C=C4)NC(=O)C

DOS

IR

Vibrations