Geometry & MOs

Info

ID:	157889
PubChem CID:	56458799
Reduced:	SO3N4C26H32 (1)
Stoich.:	AB3C4D26E32 (1)
Weight, g/mol:	464.168225
ΔH_f, kcal/mol:	-108.47
Dipole, Da:	4.55
IP(EA), eV:	-8.56(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-3-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCCC(C2)C(=O)N3CSCC3C(=O)NC4=CC(=C(C=C4)C)C

DOS

IR

Vibrations