Geometry & MOs

Info

ID:	349815
PubChem CID:	127276207
Reduced:	SN3O3C18H33 (1)
Stoich.:	AB3C3D18E33 (1)
Weight, g/mol:	364.204531
ΔH_f, kcal/mol:	-165.08
Dipole, Da:	0.87
IP(EA), eV:	-8.56(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCCC(C1)C(=O)N2CCCC2CN3CCCCC3

DOS

IR

Vibrations