Geometry & MOs

Info

ID:

234116

PubChem CID:

92297761

Reduced:

O3N6C31H36 (1)

Stoich.:

A3B6C31D36 (1)

Weight, g/mol:

540.230745

ΔHf, kcal/mol:

9.65

Dipole, Da:

7.31

IP(EA), eV:

 -8.93(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=O)N2)[C@@H](C3=NN=NN3CCOC)N(CC4=CC=C(C=C4)C(C)(C)C)CC5=CC=CO5

DOS

IR

Vibrations