Geometry & MOs

Info

ID:	349168
PubChem CID:	127274894
Reduced:	SO2N8C16H24 (1)
Stoich.:	AB2C8D16E24 (1)
Weight, g/mol:	391.233188
ΔH_f, kcal/mol:	15.77
Dipole, Da:	6.76
IP(EA), eV:	-8.5(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-[2-[4-[2-(tetrazol-1-yl)acetyl]piperazine-1-carbonyl]pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)N1C=CN=C1SCC(=O)N2CCN(CC2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations