Geometry & MOs

Info

ID:

95620

PubChem CID:

50010746

Reduced:

BrO4N5C28H36 (1)

Stoich.:

AB4C5D28E36 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-159.39

Dipole, Da:

11.25

IP(EA), eV:

 -8.52(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Br)C(=O)NC(C)C

DOS

IR

Vibrations