Geometry & MOs

Info

ID:	68941
PubChem CID:	46513109
Reduced:	SF2N2O3C24H30 (1)
Stoich.:	AB2C2D3E24F30 (1)
Weight, g/mol:	455.202048
ΔH_f, kcal/mol:	-208.84
Dipole, Da:	8.24
IP(EA), eV:	-9.21(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[1-[4-[1-(3,4-difluorophenyl)ethyl-methylcarbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)N(C)C(C)C3=CC(=C(C=C3)F)F)C

DOS

IR

Vibrations