Geometry & MOs

Info

ID:	239143
PubChem CID:	93166049
Reduced:	N2S2O5C24H30 (1)
Stoich.:	A2B2C5D24E30 (1)
Weight, g/mol:	251.168543
ΔH_f, kcal/mol:	-132.26
Dipole, Da:	6.84
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(4-fluorophenyl)methyl-propylamino]-2-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=C(C=CC=C2OC)OC)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations