Geometry & MOs

Info

ID:	186960
PubChem CID:	77508168
Reduced:	ClSF3O3N4C28H30 (1)
Stoich.:	ABC3D3E4F28G30 (1)
Weight, g/mol:	430.202321
ΔH_f, kcal/mol:	-222.51
Dipole, Da:	2.63
IP(EA), eV:	-8.41(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-chloro-2-[(3-methylphenyl)methyl]phenyl]-4-hydroxy-4-piperidin-3-ylbutyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)CN5CCN(CC5)C)C(=O)OC.Cl

DOS

IR

Vibrations