Geometry & MOs

Info

ID:

428601

PubChem CID:

135167780

Reduced:

SN7O8C60H81 (1)

Stoich.:

AB7C8D60E81 (1)

Weight, g/mol:

885.478897

ΔHf, kcal/mol:

-313.91

Dipole, Da:

13.64

IP(EA), eV:

 -8.04(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butoxy]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3C)C)C)C4=CC=C(C=C4)OCCCCCOCC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C

DOS

IR

Vibrations