Geometry & MOs

Info

ID:

97969

PubChem CID:

50037413

Reduced:

O4F5N5C32H32 (1)

Stoich.:

A4B5C5D32E32 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-370.41

Dipole, Da:

8.92

IP(EA), eV:

 -9.02(-0.66)

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-[3-[2-fluoro-5-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations