Geometry & MOs

Info

ID:

109938

PubChem CID:

50302477

Reduced:

ClO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

602.321668

ΔHf, kcal/mol:

-192.11

Dipole, Da:

10.05

IP(EA), eV:

 -8.86(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(piperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N)Cl

DOS

IR

Vibrations