Geometry & MOs

Info

ID:

113817

PubChem CID:

50459457

Reduced:

FO4N5C37H38 (1)

Stoich.:

AB4C5D37E38 (1)

Weight, g/mol:

746.335875

ΔHf, kcal/mol:

-142.03

Dipole, Da:

7.49

IP(EA), eV:

 -8.89(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-1-[1-[1-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations