Geometry & MOs

Info

ID:

105945

PubChem CID:

50143700

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

670.347883

ΔHf, kcal/mol:

-277.26

Dipole, Da:

8.42

IP(EA), eV:

 -9.1(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-methoxybenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations