Geometry & MOs

Info

ID:	393235
PubChem CID:	135019792
Reduced:	NSO6C26H27 (1)
Stoich.:	ABC6D26E27 (1)
Weight, g/mol:	559.06642
ΔH_f, kcal/mol:	-163.38
Dipole, Da:	6.16
IP(EA), eV:	-9.06(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-1-(3-bromophenyl)sulfonyl-4-hydroxy-4-(2-methoxyphenyl)piperidin-3-yl]-(2-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)C2CN(CC[C@]2(C3=CC=CC=C3OC)O)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations