Geometry & MOs

Info

ID:	417120
PubChem CID:	135091400
Reduced:	S3O6N7C28H37 (1)
Stoich.:	A3B6C7D28E37 (1)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	-154.34
Dipole, Da:	3.13
IP(EA), eV:	-8.81(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)OCCCN3C=C(CN(CCCNC(=O)[C@@H](NC2=O)CCSC)S(=O)(=O)C4=CSC(=C4)C(=O)NC)N=N3

DOS

IR

Vibrations