Geometry & MOs

Info

ID:

105658

PubChem CID:

50135599

Reduced:

N3O3C18H22 (2)

Stoich.:

A3B3C18D22 (2)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-212.86

Dipole, Da:

4.91

IP(EA), eV:

 -8.19(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4)OC

DOS

IR

Vibrations