Geometry & MOs

Info

ID:	141240
PubChem CID:	52845112
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	414.220181
ΔH_f, kcal/mol:	-31.79
Dipole, Da:	5.09
IP(EA), eV:	-8.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-benzylpiperidin-3-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propylacetamide

Drug info:

PubChemData

Smile

CCN1C[C@H](CC1=O)C(=O)NC2=C(C=C(C=C2)SC3=NC=CC=N3)C

DOS

IR

Vibrations