Geometry & MOs

Info

ID:

97989

PubChem CID:

50037704

Reduced:

F2O5N6C33H36 (1)

Stoich.:

A2B5C6D33E36 (1)

Weight, g/mol:

704.349775

ΔHf, kcal/mol:

-251.64

Dipole, Da:

13.51

IP(EA), eV:

 -8.92(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(diethylcarbamoyl)-6-methylanilino]-3-oxopropyl]-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(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)NC

DOS

IR

Vibrations