Geometry & MOs

Info

ID:

107050

PubChem CID:

50186784

Reduced:

BrN6O6C34H45 (1)

Stoich.:

AB6C6D34E45 (1)

Weight, g/mol:

684.2271

ΔHf, kcal/mol:

-247.92

Dipole, Da:

5.42

IP(EA), eV:

 -8.9(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C)Br

DOS

IR

Vibrations