Geometry & MOs

Info

ID:

448100

PubChem CID:

135288481

Reduced:

ON9H21C30 (1)

Stoich.:

AB9C21D30 (1)

Weight, g/mol:

1283.6292

ΔHf, kcal/mol:

223.91

Dipole, Da:

8.15

IP(EA), eV:

 -8.7(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[2-[3-[2-[2-[2-[2-[6-[[4-[[1-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]pyrrole-2-carbonyl]amino]cyclohexanecarbonyl]amino]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C=CN=C(C6=N5)C7=CC=CC=N7

DOS

IR

Vibrations