Geometry & MOs

Info

ID:	417296
PubChem CID:	135091957
Reduced:	SF3O4N7C29H34 (1)
Stoich.:	AB3C4D7E29F34 (1)
Weight, g/mol:	373.168936
ΔH_f, kcal/mol:	-231.66
Dipole, Da:	4.33
IP(EA), eV:	-8.59(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations