Geometry & MOs

Info

ID:

114915

PubChem CID:

50501846

Reduced:

ClFO5N6C29H36 (1)

Stoich.:

ABC5D6E29F36 (1)

Weight, g/mol:

694.243724

ΔHf, kcal/mol:

-244.02

Dipole, Da:

7.0

IP(EA), eV:

 -8.87(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-chloro-5-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N(C)C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C

DOS

IR

Vibrations