Geometry & MOs

Info

ID:	393234
PubChem CID:	135019791
Reduced:	NSO6C27H29 (1)
Stoich.:	ABC6D27E29 (1)
Weight, g/mol:	481.155909
ΔH_f, kcal/mol:	-176.47
Dipole, Da:	4.31
IP(EA), eV:	-8.84(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@](C(C2)C(=O)C3=CC=CC=C3OC)(C4=CC=CC=C4OC)O

DOS

IR

Vibrations