Geometry & MOs

Info

ID:

117920

PubChem CID:

50620584

Reduced:

BrClO4N5C30H39 (1)

Stoich.:

ABC4D5E30F39 (1)

Weight, g/mol:

583.256147

ΔHf, kcal/mol:

-180.94

Dipole, Da:

4.88

IP(EA), eV:

 -8.89(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)Br)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC

DOS

IR

Vibrations