Geometry & MOs

Info

ID:

96798

PubChem CID:

50024579

Reduced:

FO5N6C40H51 (1)

Stoich.:

AB5C6D40E51 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-234.8

Dipole, Da:

13.2

IP(EA), eV:

 -8.98(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)C

DOS

IR

Vibrations