Geometry & MOs

Info

ID:

97723

PubChem CID:

50034209

Reduced:

ClFO5N6C43H46 (1)

Stoich.:

ABC5D6E43F46 (1)

Weight, g/mol:

666.277753

ΔHf, kcal/mol:

-200.11

Dipole, Da:

12.91

IP(EA), eV:

 -8.68(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[4-fluoro-3-(propanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C)NC(=O)C6=CC=CC=C6Cl

DOS

IR

Vibrations