Geometry & MOs

Info

ID:

112279

PubChem CID:

50400285

Reduced:

BrO5N6C28H35 (1)

Stoich.:

AB5C6D28E35 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-189.99

Dipole, Da:

6.31

IP(EA), eV:

 -8.92(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)NC)C(=O)NC

DOS

IR

Vibrations