Geometry & MOs

Info

ID:

105913

PubChem CID:

50142246

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

656.332233

ΔHf, kcal/mol:

-282.57

Dipole, Da:

11.93

IP(EA), eV:

 -8.8(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(3-methoxybenzoyl)amino]-4-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-4-(propylcarbamoyl)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=C(C=CC(=C3)NC(=O)C4=CC(=CC=C4)F)F

DOS

IR

Vibrations