Geometry & MOs

Info

ID:

110949

PubChem CID:

50345213

Reduced:

ClO5N6C34H43 (1)

Stoich.:

AB5C6D34E43 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-197.78

Dipole, Da:

5.07

IP(EA), eV:

 -8.98(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)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=CC(=C(C=C4)C(=O)NC)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations