Geometry & MOs

Info

ID:

436477

PubChem CID:

135203524

Reduced:

SO2N7C19H21 (1)

Stoich.:

AB2C7D19E21 (1)

Weight, g/mol:

732.290762

ΔHf, kcal/mol:

47.32

Dipole, Da:

6.56

IP(EA), eV:

 -8.61(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(S)-[3-[[5-[[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyrazol-3-yl]methoxy]phenyl]-phenylmethyl]carbamic acid

Drug info:

PubChemData

Smile

COC(C1=CC=CC=C1)C(=O)NC2=NN=C(S2)N[C@@H]3CCN(C3)C4=NN=CC=C4

DOS

IR

Vibrations