Geometry & MOs

Info

ID:

110655

PubChem CID:

50334045

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

616.337319

ΔHf, kcal/mol:

-191.11

Dipole, Da:

9.22

IP(EA), eV:

 -8.74(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations