Geometry & MOs

Info

ID:	304922
PubChem CID:	124766316
Reduced:	FN2S2O4C21H21 (1)
Stoich.:	AB2C2D4E21F21 (1)
Weight, g/mol:	367.183067
ΔH_f, kcal/mol:	-157.39
Dipole, Da:	4.99
IP(EA), eV:	-8.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-1-[(S)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine

Drug info:

PubChemData

Smile

COC(=O)[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=CS3)C(=O)N(C2=O)C4=CC=C(C=C4)F)CCSC

DOS

IR

Vibrations