Geometry & MOs

Info

ID:

104577

PubChem CID:

50104649

Reduced:

FO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

535.315855

ΔHf, kcal/mol:

-214.1

Dipole, Da:

5.36

IP(EA), eV:

 -8.76(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(2-methylpropanoylamino)phenyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C)F

DOS

IR

Vibrations