Geometry & MOs

Info

ID:

90592

PubChem CID:

49970547

Reduced:

ClO5N6C38H49 (1)

Stoich.:

AB5C6D38E49 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-219.18

Dipole, Da:

8.91

IP(EA), eV:

 -8.78(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(propanoylamino)phenyl]-1-[1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)N6CCCC6

DOS

IR

Vibrations