Geometry & MOs

Info

ID:

439013

PubChem CID:

135228775

Reduced:

NO3C30H43 (1)

Stoich.:

AB3C30D43 (1)

Weight, g/mol:

549.320271

ΔHf, kcal/mol:

-126.07

Dipole, Da:

10.0

IP(EA), eV:

-8.52(-0.82)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(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-enoic acid

Drug info:

PubChemData

Smile

CCCN/C=C(\C=C)/C1=CC(=C(C=C1CC)/C(=C/C(=O)/C(=C\C)/C(=O)O)/C)CC(C)C(C)(C)C

DOS

IR

Vibrations