Geometry & MOs

Info

ID:

234137

PubChem CID:

92297801

Reduced:

SO4N6H28C31 (1)

Stoich.:

AB4C6D28E31 (1)

Weight, g/mol:

542.219702

ΔHf, kcal/mol:

-20.9

Dipole, Da:

4.84

IP(EA), eV:

 -8.48(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(R)-[(4-chlorophenyl)methyl-(2-phenylethyl)amino]-[1-(2-methoxyethyl)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