Geometry & MOs

Info

ID:

106075

PubChem CID:

50148437

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

634.347883

ΔHf, kcal/mol:

-217.92

Dipole, Da:

3.61

IP(EA), eV:

 -8.72(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-methoxy-4-(propanoylamino)anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations