Geometry & MOs

Info

ID:

92386

PubChem CID:

49985471

Reduced:

SO4N7C32H47 (1)

Stoich.:

AB4C7D32E47 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-166.7

Dipole, Da:

1.74

IP(EA), eV:

 -9.02(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations