Geometry & MOs

Info

ID:

106073

PubChem CID:

50148370

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

590.321668

ΔHf, kcal/mol:

-232.21

Dipole, Da:

5.49

IP(EA), eV:

 -8.85(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3C)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations