Geometry & MOs

Info

ID:

97777

PubChem CID:

50034781

Reduced:

Cl2F2O4N5C31H31 (1)

Stoich.:

A2B2C4D5E31F31 (1)

Weight, g/mol:

655.16057

ΔHf, kcal/mol:

-225.16

Dipole, Da:

9.45

IP(EA), eV:

 -9.0(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-bromoanilino)-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)NCC(=O)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations