Geometry & MOs

Info

ID:

118799

PubChem CID:

50659436

Reduced:

BrClFO4N5C28H34 (1)

Stoich.:

ABCD4E5F28G34 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-203.92

Dipole, Da:

5.56

IP(EA), eV:

 -9.13(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations