Geometry & MOs

Info

ID:

102567

PubChem CID:

50068182

Reduced:

F4O4N5H35C37 (1)

Stoich.:

A4B4C5D35E37 (1)

Weight, g/mol:

690.273274

ΔHf, kcal/mol:

-272.93

Dipole, Da:

7.55

IP(EA), eV:

 -9.12(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations