Geometry & MOs

Info

ID:	362147
PubChem CID:	127305833
Reduced:	OSN2C7H10 (2)
Stoich.:	ABC2D7E10 (2)
Weight, g/mol:	352.168145
ΔH_f, kcal/mol:	-39.56
Dipole, Da:	7.84
IP(EA), eV:	-8.59(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyltetrazol-5-yl)sulfanyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)CSC3=NN=CS3

DOS

IR

Vibrations