Geometry & MOs

Info

ID:	323404
PubChem CID:	126674710
Reduced:	SN2O8H18C22 (1)
Stoich.:	AB2C8D18E22 (1)
Weight, g/mol:	439.325043
ΔH_f, kcal/mol:	-213.95
Dipole, Da:	6.54
IP(EA), eV:	-9.31(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[[4-[4-(cyclopentyloxymethyl)-3-fluorophenyl]phenyl]methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N=NC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)C(=O)O)S(=O)(=O)O

DOS

IR

Vibrations