Geometry & MOs

Info

ID:	175690
PubChem CID:	75937554
Reduced:	OSN2C20H29 (1)
Stoich.:	ABC2D20E29 (1)
Weight, g/mol:	359.213481
ΔH_f, kcal/mol:	-4.01
Dipole, Da:	3.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755484
Charge, e:	1

Chem-info

IUPAC name:

[2-[[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-methyl-propan-2-ylazanium

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C[NH+](C)C(C)C

DOS

IR

Vibrations