Geometry & MOs

Info

ID:

107736

PubChem CID:

50216847

Reduced:

FN6O6C36H41 (1)

Stoich.:

AB6C6D36E41 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-241.21

Dipole, Da:

15.66

IP(EA), eV:

 -8.33(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)F)OC

DOS

IR

Vibrations