Geometry & MOs

Info

ID:

328802

PubChem CID:

126727964

Reduced:

SN3O4C27H31 (1)

Stoich.:

AB3C4D27E31 (1)

Weight, g/mol:

638.206228

ΔHf, kcal/mol:

-92.8

Dipole, Da:

5.41

IP(EA), eV:

 -8.36(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[7-[(4Z)-4-ethylidene-5-(methylideneamino)-2,3-dihydrochromen-6-yl]-5-methyl-2-oxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1[C@@H](C(=O)O)OC(C)(C)C)C3=CC=C4[C@H]5C3N=CC=C5CCO4)SC(=N2)N(C)C

DOS

IR

Vibrations