Geometry & MOs

Info

ID:

102789

PubChem CID:

50069752

Reduced:

F2N6O6C39H46 (1)

Stoich.:

A2B6C6D39E46 (1)

Weight, g/mol:

744.381075

ΔHf, kcal/mol:

-312.95

Dipole, Da:

10.2

IP(EA), eV:

 -8.94(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations