Geometry & MOs

Info

ID:

449925

PubChem CID:

135302579

Reduced:

ClSO7N10C38H55 (1)

Stoich.:

ABC7D10E38F55 (1)

Weight, g/mol:

935.440404

ΔHf, kcal/mol:

-252.18

Dipole, Da:

7.43

IP(EA), eV:

 -8.46(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3',6'-diamino-N-[8-[[4-[[4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]thieno[3,2-b]pyrrol-5-yl]methylamino]cyclohexanecarbonyl]amino]octyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCOCCNC(=O)CCOCCOCCNC(=O)CCCCCNC=O

DOS

IR

Vibrations