Geometry & MOs

Info

ID:

312206

PubChem CID:

126603583

Reduced:

N4O4C27H34 (1)

Stoich.:

A4B4C27D34 (1)

Weight, g/mol:

703.272945

ΔHf, kcal/mol:

-58.31

Dipole, Da:

3.97

IP(EA), eV:

 -8.28(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[[hydroxy-(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[(4-methylphenyl)methyl]indol-5-yl]-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCOCC1=CC=C(O1)C2=NC(=NC=C2)NC3=CC(=C(C=C3)OCCN4CCCC4)COCC=C

DOS

IR

Vibrations