Geometry & MOs

Info

ID:

98622

PubChem CID:

50045351

Reduced:

FN6O6C34H39 (1)

Stoich.:

AB6C6D34E39 (1)

Weight, g/mol:

704.349775

ΔHf, kcal/mol:

-255.38

Dipole, Da:

4.85

IP(EA), eV:

 -9.04(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(diethylcarbamoyl)-2-methylanilino]-3-oxopropyl]-1-[1-[5-[(2,4-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=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)N)OC

DOS

IR

Vibrations