Geometry & MOs

Info

ID:

229749

PubChem CID:

87568790

Reduced:

F2N3O4H23C27 (1)

Stoich.:

A2B3C4D23E27 (1)

Weight, g/mol:

549.050367

ΔHf, kcal/mol:

-122.47

Dipole, Da:

5.67

IP(EA), eV:

 -9.63(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-chloro-2-[[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-(1-hydroxy-2-methylpropyl)pyrrole-2-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

C1CC1NC(=O)/C(=C\C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)NO)/C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations