Geometry & MOs

Info

ID:	391951
PubChem CID:	135011273
Reduced:	ClNOH16C21 (1)
Stoich.:	ABCD16E21 (1)
Weight, g/mol:	404.173391
ΔH_f, kcal/mol:	26.03
Dipole, Da:	4.72
IP(EA), eV:	-8.21(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,5R)-N-[(2,4-difluorophenyl)methyl]-4-hydroxy-3,5-dimethyl-4-phenylpiperidine-1-carboximidothioate

Drug info:

PubChemData

Smile

CC1=CC2=C3C=CC=CN3C(=C2C=C1C)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations