Geometry & MOs

Info

ID:

99476

PubChem CID:

50050872

Reduced:

ClFN5O5C35H39 (1)

Stoich.:

ABC5D5E35F39 (1)

Weight, g/mol:

683.267461

ΔHf, kcal/mol:

-217.06

Dipole, Da:

3.47

IP(EA), eV:

 -8.83(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-chlorobenzoyl)amino]-3-methylphenyl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations