Geometry & MOs

Info

ID:

115554

PubChem CID:

50527273

Reduced:

ClFO5N6C31H38 (1)

Stoich.:

ABC5D6E31F38 (1)

Weight, g/mol:

652.196774

ΔHf, kcal/mol:

-262.1

Dipole, Da:

6.03

IP(EA), eV:

 -9.02(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N)F

DOS

IR

Vibrations