Geometry & MOs

Info

ID:	239165
PubChem CID:	93166076
Reduced:	NSO2C14H23 (1)
Stoich.:	ABC2D14E23 (1)
Weight, g/mol:	317.159121
ΔH_f, kcal/mol:	-84.26
Dipole, Da:	2.95
IP(EA), eV:	-8.83(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-2-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CC(C)(CN(C[C@H]1CCCO1)CC2=CSC=C2)O

DOS

IR

Vibrations