Geometry & MOs

Info

ID:

104378

PubChem CID:

50104169

Reduced:

FN6O6C43H49 (1)

Stoich.:

AB6C6D43E49 (1)

Weight, g/mol:

768.320224

ΔHf, kcal/mol:

-243.77

Dipole, Da:

8.29

IP(EA), eV:

 -8.13(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-chlorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5OC)C

DOS

IR

Vibrations