Geometry & MOs

Info

ID:	66077
PubChem CID:	46491029
Reduced:	SF3N3O4C19H24 (1)
Stoich.:	AB3C3D4E19F24 (1)
Weight, g/mol:	459.176976
ΔH_f, kcal/mol:	-301.31
Dipole, Da:	7.83
IP(EA), eV:	-9.77(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3CCCC(C3)C(F)(F)F

DOS

IR

Vibrations