Geometry & MOs

Info

ID:

445524

PubChem CID:

135267615

Reduced:

SN3O3H29C30 (1)

Stoich.:

AB3C3D29E30 (1)

Weight, g/mol:

561.263899

ΔHf, kcal/mol:

-27.99

Dipole, Da:

6.77

IP(EA), eV:

 -8.65(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1-[[(2E,4Z,6E,8E)-9-[(1E)-1-(1,2-dihydropyrrol-3-ylidene)ethoxy]-9-(4-fluorophenyl)-8-(methylcarbamoyl)-4-prop-2-enylidenenona-2,6,8-trienoyl]amino]cyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC=CC(=C1)C2=C3C(=C4C(=C2)C(=CO4)C(=O)NC)C=C(N3SC)C5=CC=CC=C5

DOS

IR

Vibrations