Geometry & MOs

Info

ID:	346872
PubChem CID:	127271376
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	380.199445
ΔH_f, kcal/mol:	-161.89
Dipole, Da:	11.82
IP(EA), eV:	-8.85(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NC(=O)C2=CC(=CC=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations