Geometry & MOs

Info

ID:

114765

PubChem CID:

50496148

Reduced:

ClF4O4N5C34H36 (1)

Stoich.:

AB4C4D5E34F36 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-346.02

Dipole, Da:

4.95

IP(EA), eV:

 -9.11(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-[4-(piperidine-1-carbonyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations