Geometry & MOs

Info

ID:

118074

PubChem CID:

50627817

Reduced:

BrClFO4N5C27H30 (1)

Stoich.:

ABCD4E5F27G30 (1)

Weight, g/mol:

646.267046

ΔHf, kcal/mol:

-190.95

Dipole, Da:

8.59

IP(EA), eV:

 -9.14(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[3-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)Cl)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations