Geometry & MOs

Info

ID:

109037

PubChem CID:

50270425

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-187.95

Dipole, Da:

7.68

IP(EA), eV:

 -8.67(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1-[1-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C)C)F

DOS

IR

Vibrations