Geometry & MOs

Info

ID:

117618

PubChem CID:

50608838

Reduced:

BrClO5N6C30H38 (1)

Stoich.:

ABC5D6E30F38 (1)

Weight, g/mol:

704.20886

ΔHf, kcal/mol:

-209.66

Dipole, Da:

5.14

IP(EA), eV:

 -8.99(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)N)Cl

DOS

IR

Vibrations