Geometry & MOs

Info

ID:

117546

PubChem CID:

50606973

Reduced:

ClFO5N6C31H32 (1)

Stoich.:

ABC5D6E31F32 (1)

Weight, g/mol:

618.235746

ΔHf, kcal/mol:

-203.07

Dipole, Da:

6.2

IP(EA), eV:

 -8.5(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations