Geometry & MOs

Info

ID:

105591

PubChem CID:

50126562

Reduced:

F2O4N5C28H35 (1)

Stoich.:

A2B4C5D28E35 (1)

Weight, g/mol:

604.337319

ΔHf, kcal/mol:

-252.65

Dipole, Da:

3.87

IP(EA), eV:

 -8.96(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)F)F

DOS

IR

Vibrations