Geometry & MOs

Info

ID:

441590

PubChem CID:

135236596

Reduced:

FN6O7C31H39 (1)

Stoich.:

AB6C7D31E39 (1)

Weight, g/mol:

633.22572

ΔHf, kcal/mol:

-246.38

Dipole, Da:

7.83

IP(EA), eV:

 -9.74(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-hydroxy-1-[[4-[3-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-1-[(4-methylphenyl)methylamino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNC(=O)C(COC2CCN(C2)C(=O)C(=CC(C)C)C#N)NC(=O)[C@H]([C@@H](C)O)NC(=O)C3=CC(=NO3)C)F

DOS

IR

Vibrations