Geometry & MOs

Info

ID:

117091

PubChem CID:

50588717

Reduced:

ClFO5N6C36H40 (1)

Stoich.:

ABC5D6E36F40 (1)

Weight, g/mol:

704.308911

ΔHf, kcal/mol:

-220.18

Dipole, Da:

9.86

IP(EA), eV:

 -8.56(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]-N-[2-[3-[(3-methoxybenzoyl)amino]-4-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2F)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations