Geometry & MOs

Info

ID:

110827

PubChem CID:

50341177

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-188.22

Dipole, Da:

8.17

IP(EA), eV:

 -8.75(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-methylbenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations