Geometry & MOs

Info

ID:	422523
PubChem CID:	135117979
Reduced:	ON2F4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-239.98
Dipole, Da:	3.37
IP(EA), eV:	-9.17(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)sulfanylethanone

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)CC3=C(C=C(C=C3)C(F)(F)F)F

DOS

IR

Vibrations