Geometry & MOs

Info

ID:

112690

PubChem CID:

50416407

Reduced:

FN3O3C17H19 (2)

Stoich.:

AB3C3D17E19 (2)

Weight, g/mol:

706.329039

ΔHf, kcal/mol:

-292.97

Dipole, Da:

10.73

IP(EA), eV:

 -8.95(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(diethylcarbamoyl)-2-methoxyanilino]-3-oxopropyl]-1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations