Geometry & MOs

Info

ID:

315651

PubChem CID:

126628353

Reduced:

ClSO7N11C49H56 (1)

Stoich.:

ABC7D11E49F56 (1)

Weight, g/mol:

628.16193

ΔHf, kcal/mol:

-117.04

Dipole, Da:

13.03

IP(EA), eV:

 -8.62(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(/C(=C/2\C=C(C(=CC2=O)O)C(C)C)/ON1)C3=CC=C(C=C3)CN4CCN(CC4)C(=O)OCCN5CCN(CC5)C6=NC(=NC(=C6)NC7=NC=C(S7)C(=O)NC8=C(C=CC=C8Cl)C)C

DOS

IR

Vibrations