Geometry & MOs

Info

ID:	245139
PubChem CID:	99437692
Reduced:	SO3N6C18H26 (1)
Stoich.:	AB3C6D18E26 (1)
Weight, g/mol:	409.16848
ΔH_f, kcal/mol:	-60.93
Dipole, Da:	5.62
IP(EA), eV:	-9.28(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CCCC(=O)NC1=CC(=CC=C1)N2C(=NN=N2)SC

DOS

IR

Vibrations