Geometry & MOs

Info

ID:

102972

PubChem CID:

50070282

Reduced:

FN5O5C35H42 (1)

Stoich.:

AB5C5D35E42 (1)

Weight, g/mol:

623.271939

ΔHf, kcal/mol:

-219.4

Dipole, Da:

8.98

IP(EA), eV:

 -8.62(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2,5-difluoroanilino)-3-oxopropyl]-1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NCC4=CC=C(C=C4)OC)F

DOS

IR

Vibrations