Geometry & MOs

Info

ID:

105851

PubChem CID:

50140151

Reduced:

ClF2O5N6C37H41 (1)

Stoich.:

AB2C5D6E37F41 (1)

Weight, g/mol:

617.301348

ΔHf, kcal/mol:

-275.59

Dipole, Da:

11.32

IP(EA), eV:

 -9.17(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(2-fluorophenyl)carbamoyl]-2-methoxyphenyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations