Geometry & MOs

Info

ID:

104867

PubChem CID:

50105809

Reduced:

SO4N5C28H37 (1)

Stoich.:

AB4C5D28E37 (1)

Weight, g/mol:

595.217317

ΔHf, kcal/mol:

-145.29

Dipole, Da:

5.47

IP(EA), eV:

 -8.34(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations