Geometry & MOs

Info

ID:

98470

PubChem CID:

50044398

Reduced:

F2N6O6C39H46 (1)

Stoich.:

A2B6C6D39E46 (1)

Weight, g/mol:

740.313389

ΔHf, kcal/mol:

-313.68

Dipole, Da:

3.74

IP(EA), eV:

 -8.21(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-[(4-methoxybenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5CCCCC5

DOS

IR

Vibrations