Geometry & MOs

Info

ID:

100296

PubChem CID:

50059662

Reduced:

ClFO5N6C42H52 (1)

Stoich.:

ABC5D6E42F52 (1)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-261.67

Dipole, Da:

1.95

IP(EA), eV:

 -8.41(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-phenylpyrrolidine-2-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)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5CCCCC5)Cl

DOS

IR

Vibrations