Geometry & MOs

Info

ID:

93525

PubChem CID:

49995128

Reduced:

BrO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

621.352634

ΔHf, kcal/mol:

-196.82

Dipole, Da:

6.87

IP(EA), eV:

 -8.81(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C(=C4)C)C)Br

DOS

IR

Vibrations