Geometry & MOs

Info

ID:

105953

PubChem CID:

50144110

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-188.98

Dipole, Da:

6.73

IP(EA), eV:

 -8.51(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(2-methylpropanoylamino)anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations