Geometry & MOs

Info

ID:

116615

PubChem CID:

50568397

Reduced:

FCl2O4N5C27H32 (1)

Stoich.:

AB2C4D5E27F32 (1)

Weight, g/mol:

694.268189

ΔHf, kcal/mol:

-216.11

Dipole, Da:

3.68

IP(EA), eV:

 -9.12(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)Cl)Cl

DOS

IR

Vibrations