Geometry & MOs

Info

ID:

110070

PubChem CID:

50308374

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-233.78

Dipole, Da:

3.09

IP(EA), eV:

 -8.95(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4F)C)Cl

DOS

IR

Vibrations