Geometry & MOs

Info

ID:

114821

PubChem CID:

50497595

Reduced:

ClO4N5C37H38 (1)

Stoich.:

AB4C5D37E38 (1)

Weight, g/mol:

623.237782

ΔHf, kcal/mol:

-105.53

Dipole, Da:

10.11

IP(EA), eV:

 -8.46(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations