Geometry & MOs

Info

ID:

105771

PubChem CID:

50139427

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

666.352969

ΔHf, kcal/mol:

-220.59

Dipole, Da:

6.7

IP(EA), eV:

 -8.43(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-methyl-4-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations