Geometry & MOs

Info

ID:	352283
PubChem CID:	127283367
Reduced:	SN3O3C19H31 (1)
Stoich.:	AB3C3D19E31 (1)
Weight, g/mol:	370.124566
ΔH_f, kcal/mol:	-161.52
Dipole, Da:	3.87
IP(EA), eV:	-8.64(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyltetrazol-5-yl)sulfanyl-1-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCC(C1)C(=O)N2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations