Geometry & MOs

Info

ID:	423241
PubChem CID:	135119161
Reduced:	N2O2C23H36 (1)
Stoich.:	A2B2C23D36 (1)
Weight, g/mol:	433.155909
ΔH_f, kcal/mol:	-108.82
Dipole, Da:	3.69
IP(EA), eV:	-9.04(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-(2-ethoxy-5-methylphenyl)sulfonyl-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CCCC(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations