Geometry & MOs

Info

ID:

114092

PubChem CID:

50471301

Reduced:

F3O5N6H35C37 (1)

Stoich.:

A3B5C6D35E37 (1)

Weight, g/mol:

740.313389

ΔHf, kcal/mol:

-264.84

Dipole, Da:

3.81

IP(EA), eV:

 -8.97(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)F)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations