Geometry & MOs

Info

ID:

95944

PubChem CID:

50017139

Reduced:

ClO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-145.98

Dipole, Da:

4.76

IP(EA), eV:

 -8.73(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4C)Cl

DOS

IR

Vibrations