Geometry & MOs

Info

ID:

95806

PubChem CID:

50015236

Reduced:

ClO4N5C28H36 (1)

Stoich.:

AB4C5D28E36 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-167.0

Dipole, Da:

9.32

IP(EA), eV:

 -8.93(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-5-(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)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C

DOS

IR

Vibrations