Geometry & MOs

Info

ID:

104138

PubChem CID:

50092173

Reduced:

ClFO3N4C30H32 (1)

Stoich.:

ABC3D4E30F32 (1)

Weight, g/mol:

736.338461

ΔHf, kcal/mol:

-129.95

Dipole, Da:

7.99

IP(EA), eV:

 -8.57(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-fluorobenzoyl)amino]-4-methoxyanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4Cl)F

DOS

IR

Vibrations