Geometry & MOs

Info

ID:	352284
PubChem CID:	127283368
Reduced:	OSN3C7H11 (2)
Stoich.:	ABC3D7E11 (2)
Weight, g/mol:	396.140216
ΔH_f, kcal/mol:	-15.72
Dipole, Da:	9.18
IP(EA), eV:	-8.56(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCC(=O)N2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations