Geometry & MOs

Info

ID:

111073

PubChem CID:

50351286

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

720.376597

ΔHf, kcal/mol:

-230.6

Dipole, Da:

6.98

IP(EA), eV:

 -8.65(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(3-methylpiperidine-1-carbonyl)phenyl]-1-[1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC(C)C)C(=O)NCC(C)C

DOS

IR

Vibrations