Geometry & MOs

Info

ID:

94925

PubChem CID:

50004971

Reduced:

BrO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-214.77

Dipole, Da:

10.65

IP(EA), eV:

 -8.83(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(2-carbamoyl-5-chloroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)C(=O)NC(C)C

DOS

IR

Vibrations