Geometry & MOs

Info

ID:	170221
PubChem CID:	75208934
Reduced:	SO2N5C27H33 (1)
Stoich.:	AB2C5D27E33 (1)
Weight, g/mol:	417.18009
ΔH_f, kcal/mol:	-20.53
Dipole, Da:	6.33
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C3NN=C(N3C4CCCCC4C2=O)SCC(=O)NC5=CC=CC(=C5)C(C)C

DOS

IR

Vibrations