Geometry & MOs

Info

ID:

438740

PubChem CID:

135228493

Reduced:

N3C25H31 (1)

Stoich.:

A3B25C31 (1)

Weight, g/mol:

577.351572

ΔHf, kcal/mol:

67.74

Dipole, Da:

4.75

IP(EA), eV:

-7.41(-0.32)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

ethyl (E)-2-[(2E)-2-[3-tert-butyl-6-[(Z)-3-imino-1-[methyl(2-morpholin-4-ylethyl)amino]prop-1-en-2-yl]-7-methoxy-2-methylidene-3,4-dihydronaphthalen-1-ylidene]acetyl]but-2-enoate

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=C)C)C(C)C)/C(=C/N)/C=N

DOS

IR

Vibrations