Geometry & MOs

Info

ID:

234142

PubChem CID:

92297810

Reduced:

SO4N6H28C31 (1)

Stoich.:

AB4C6D28E31 (1)

Weight, g/mol:

534.274324

ΔHf, kcal/mol:

-29.88

Dipole, Da:

6.61

IP(EA), eV:

 -8.87(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(R)-[benzyl(2-phenylethyl)amino]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N([C@H](C2=CC3=C(C=C2)N=CC=C3)C(=O)NCC4=CC=C(C=C4)OC)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations