Geometry & MOs

Info

ID:

97776

PubChem CID:

50034777

Reduced:

F2O4N5C37H37 (1)

Stoich.:

A2B4C5D37E37 (1)

Weight, g/mol:

645.172116

ΔHf, kcal/mol:

-181.4

Dipole, Da:

3.42

IP(EA), eV:

 -8.39(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,5-dichloroanilino)-2-oxoethyl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations