Geometry & MOs

Info

ID:

107017

PubChem CID:

50185866

Reduced:

BrO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

738.31043

ΔHf, kcal/mol:

-232.66

Dipole, Da:

4.77

IP(EA), eV:

 -8.84(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(propylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Br)C(=O)NC(C)C)C

DOS

IR

Vibrations