Geometry & MOs

Info

ID:

104722

PubChem CID:

50104946

Reduced:

BrO5N6C26H31 (1)

Stoich.:

AB5C6D26E31 (1)

Weight, g/mol:

584.251396

ΔHf, kcal/mol:

-183.0

Dipole, Da:

4.76

IP(EA), eV:

 -9.02(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)C(=O)NC

DOS

IR

Vibrations