Geometry & MOs

Info

ID:	416540
PubChem CID:	135089591
Reduced:	FSO2N3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	322.124132
ΔH_f, kcal/mol:	-84.85
Dipole, Da:	3.9
IP(EA), eV:	-9.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCCC(=O)NCCC2=NC=CS2)F

DOS

IR

Vibrations