Geometry & MOs

Info

ID:

117216

PubChem CID:

50595052

Reduced:

FCl2O4N5C29H34 (1)

Stoich.:

AB2C4D5E29F34 (1)

Weight, g/mol:

760.351525

ΔHf, kcal/mol:

-214.5

Dipole, Da:

11.86

IP(EA), eV:

 -8.88(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCC2)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations