Geometry & MOs

Info

ID:	61340
PubChem CID:	26708314
Reduced:	O2N6H18C19 (1)
Stoich.:	A2B6C18D19 (1)
Weight, g/mol:	430.122338
ΔH_f, kcal/mol:	35.18
Dipole, Da:	14.44
IP(EA), eV:	-9.07(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(4-fluorophenyl)sulfonyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)CC(=O)NC3=CC(=CC=C3)N4C=NN=N4

DOS

IR

Vibrations