Geometry & MOs

Info

ID:

151290

PubChem CID:

53800991

Reduced:

ClSN3O4C23H30 (1)

Stoich.:

ABC3D4E23F30 (1)

Weight, g/mol:

681.05452

ΔHf, kcal/mol:

-116.18

Dipole, Da:

10.35

IP(EA), eV:

 -9.16(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-prop-2-ynylbenzamide

Drug info:

PubChemData

Smile

CCOS(=O)C1=C(N=CC=C1)C.CC1=CC=CC=C1C.CC1=C(C(=NN1C)Cl)C(=O)OC

DOS

IR

Vibrations