Geometry & MOs

Info

ID:

108183

PubChem CID:

50234255

Reduced:

ClO5N6C41H45 (1)

Stoich.:

AB5C6D41E45 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-155.96

Dipole, Da:

8.48

IP(EA), eV:

 -8.65(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations