Geometry & MOs

Info

ID:

334505

PubChem CID:

127253180

Reduced:

SN2O4H18C24 (1)

Stoich.:

AB2C4D18E24 (1)

Weight, g/mol:

542.201279

ΔHf, kcal/mol:

-61.51

Dipole, Da:

2.01

IP(EA), eV:

 -8.93(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxopropan-2-yl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCC5=CC=C(C=C5)S(=O)(=O)N

DOS

IR

Vibrations