Geometry & MOs

Info

ID:

94472

PubChem CID:

50001789

Reduced:

BrO5N6C34H47 (1)

Stoich.:

AB5C6D34E47 (1)

Weight, g/mol:

670.24783

ΔHf, kcal/mol:

-223.57

Dipole, Da:

9.5

IP(EA), eV:

 -8.83(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-bromo-3-(methylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations