Geometry & MOs

Info

ID:

109284

PubChem CID:

50279270

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-231.4

Dipole, Da:

14.87

IP(EA), eV:

 -8.73(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(diethylcarbamoyl)-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)F)C

DOS

IR

Vibrations