Geometry & MOs

Info

ID:

111372

PubChem CID:

50363598

Reduced:

BrO5N6C35H45 (1)

Stoich.:

AB5C6D35E45 (1)

Weight, g/mol:

708.26348

ΔHf, kcal/mol:

-195.62

Dipole, Da:

7.45

IP(EA), eV:

 -8.99(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(propylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Br)C(=O)NC(C)C)C(=O)N5CCCC5

DOS

IR

Vibrations