Geometry & MOs

Info

ID:

110510

PubChem CID:

50328346

Reduced:

ClFO4N5C28H35 (1)

Stoich.:

ABC4D5E28F35 (1)

Weight, g/mol:

543.265711

ΔHf, kcal/mol:

-210.91

Dipole, Da:

7.97

IP(EA), eV:

 -8.96(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)NC(C)C

DOS

IR

Vibrations