Geometry & MOs

Info

ID:

112576

PubChem CID:

50411993

Reduced:

F2O4N5C30H31 (1)

Stoich.:

A2B4C5D30E31 (1)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-209.98

Dipole, Da:

8.78

IP(EA), eV:

 -9.0(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(5-carbamoyl-2-chloroanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations