Geometry & MOs

Info

ID:	349161
PubChem CID:	127274887
Reduced:	O2N8C15H22 (1)
Stoich.:	A2B8C15D22 (1)
Weight, g/mol:	381.158309
ΔH_f, kcal/mol:	19.6
Dipole, Da:	4.35
IP(EA), eV:	-9.44(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)C(=O)N2CCN(CC2)C(=O)CN3C=NN=N3)C

DOS

IR

Vibrations