Geometry & MOs

Info

ID:

97778

PubChem CID:

50034782

Reduced:

BrF2O4N5C31H32 (1)

Stoich.:

AB2C4D5E31F32 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-196.0

Dipole, Da:

6.87

IP(EA), eV:

 -9.15(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations