Geometry & MOs

Info

ID:

106402

PubChem CID:

50162015

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

594.316583

ΔHf, kcal/mol:

-222.14

Dipole, Da:

9.73

IP(EA), eV:

 -8.72(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-4-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N5CCCCC5)C)F

DOS

IR

Vibrations