Geometry & MOs

Info

ID:

96642

PubChem CID:

50023082

Reduced:

FO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-192.19

Dipole, Da:

8.87

IP(EA), eV:

 -8.77(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-fluorobenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations