Geometry & MOs

Info

ID:

106837

PubChem CID:

50178597

Reduced:

FN3O3C19H22 (2)

Stoich.:

AB3C3D19E22 (2)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-298.32

Dipole, Da:

8.98

IP(EA), eV:

 -8.9(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations