Geometry & MOs

Info

ID:

190978

PubChem CID:

78089307

Reduced:

ClO8N10C35H49 (1)

Stoich.:

AB8C10D35E49 (1)

Weight, g/mol:

582.257731

ΔHf, kcal/mol:

-255.49

Dipole, Da:

2.83

IP(EA), eV:

 -8.41(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[7-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] N-methyl-N-(2-morpholin-4-ylethyl)carbamate

Drug info:

PubChemData

Smile

CC1C(=O)N2C(CCCN2)C(=O)N3C(CC4(C3NC5=CC(=C(C=C54)O)Cl)O)C(=O)NC(C(=O)N6C(CCCN6)C(=O)N7C(CCCN7)C(=O)N1C)C(C)C

DOS

IR

Vibrations