Geometry & MOs

Info

ID:

170516

PubChem CID:

75246672

Reduced:

NSO2H8C12 (2)

Stoich.:

ABC2D8E12 (2)

Weight, g/mol:

501.089401

ΔHf, kcal/mol:

-54.25

Dipole, Da:

4.44

IP(EA), eV:

 -8.61(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2,4-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxo-4a,7a-dihydropyrrolo[3,2-d]pyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC4=CC=C(C=C4)C=C5C(=O)NC(=O)S5

DOS

IR

Vibrations