Geometry & MOs

Info

ID:

113583

PubChem CID:

50452041

Reduced:

F2O4N5C30H31 (1)

Stoich.:

A2B4C5D30E31 (1)

Weight, g/mol:

605.281361

ΔHf, kcal/mol:

-206.61

Dipole, Da:

5.24

IP(EA), eV:

 -9.05(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(diethylcarbamoyl)phenyl]-1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NC)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations