Geometry & MOs

Info

ID:

307917

PubChem CID:

125310750

Reduced:

SO3N5H25C26 (1)

Stoich.:

AB3C5D25E26 (1)

Weight, g/mol:

487.167811

ΔHf, kcal/mol:

40.61

Dipole, Da:

5.19

IP(EA), eV:

 -8.81(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2R)-4-(4-ethoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-[(2S)-2-methyl-2H-indol-3-yl]-2-oxoacetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=N[C@H](SC2)N3C(=CC(=N3)C)NC(=O)C(=O)C4=C5C=CC=CC5=N[C@H]4C

DOS

IR

Vibrations