Geometry & MOs

Info

ID:

97816

PubChem CID:

50035346

Reduced:

F2N6O6C33H36 (1)

Stoich.:

A2B6C6D33E36 (1)

Weight, g/mol:

678.297739

ΔHf, kcal/mol:

-275.25

Dipole, Da:

8.16

IP(EA), eV:

 -9.04(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[5-(dimethylcarbamoyl)-2-methoxyanilino]-2-oxoethyl]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=C(C=CC(=C4)C(=O)N)OC

DOS

IR

Vibrations