Geometry & MOs

Info

ID:

114413

PubChem CID:

50481844

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

722.322811

ΔHf, kcal/mol:

-230.94

Dipole, Da:

13.15

IP(EA), eV:

 -8.78(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=C(C=C4)F)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations