Geometry & MOs

Info

ID:

443663

PubChem CID:

135259696

Reduced:

NSO6H23C25 (1)

Stoich.:

ABC6D23E25 (1)

Weight, g/mol:

552.294785

ΔHf, kcal/mol:

-160.39

Dipole, Da:

3.4

IP(EA), eV:

 -8.58(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,4R)-1-acetyl-2-methyl-6-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]-propan-2-ylcarbamic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=C(C=CC(=C2)N(C)C3=CC(=O)OC4=CC=CC=C43)OC)S(=O)(=O)O

DOS

IR

Vibrations