Geometry & MOs

Info

ID:

110746

PubChem CID:

50338599

Reduced:

ClO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-138.35

Dipole, Da:

8.89

IP(EA), eV:

 -8.69(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)C(=O)NCC(C)C

DOS

IR

Vibrations