Geometry & MOs

Info

ID:

188244

PubChem CID:

77687854

Reduced:

Cl2N2S2O6C39H42 (1)

Stoich.:

A2B2C2D6E39F42 (1)

Weight, g/mol:

463.131425

ΔHf, kcal/mol:

-179.87

Dipole, Da:

8.31

IP(EA), eV:

 -8.42(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-2-[[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamoylamino]butanoic acid

Drug info:

PubChemData

Smile

CCC(COC1=CC=CC=C1SC2=CC(=CC=C2)Cl)N(CC)C(CC(C(=O)O)N3CCC(C3)OC4=CC=CC=C4SC5=CC=C(C=C5)Cl)C(=O)O

DOS

IR

Vibrations