Geometry & MOs

Info

ID:

100321

PubChem CID:

50060078

Reduced:

N5O5C32H37 (1)

Stoich.:

A5B5C32D37 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-140.74

Dipole, Da:

7.56

IP(EA), eV:

 -8.79(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)OC

DOS

IR

Vibrations