Geometry & MOs

Info

ID:	43940
PubChem CID:	10322254
Reduced:	SN3O4C25H27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	465.265237
ΔH_f, kcal/mol:	-79.62
Dipole, Da:	5.47
IP(EA), eV:	-8.95(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=NC2=CC=CC=C2C1NS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C

DOS

IR

Vibrations