Geometry & MOs

Info

ID:

118618

PubChem CID:

50649905

Reduced:

ClO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-190.97

Dipole, Da:

6.21

IP(EA), eV:

 -8.44(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[3-[(4-fluorobenzoyl)amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations