Geometry & MOs

Info

ID:

115330

PubChem CID:

50519086

Reduced:

ClF4O4N5C35H38 (1)

Stoich.:

AB4C4D5E35F38 (1)

Weight, g/mol:

631.316998

ΔHf, kcal/mol:

-346.47

Dipole, Da:

5.56

IP(EA), eV:

 -8.93(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations