Geometry & MOs

Info

ID:

107576

PubChem CID:

50209078

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

644.368619

ΔHf, kcal/mol:

-221.56

Dipole, Da:

10.12

IP(EA), eV:

 -8.74(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(=O)NCC(C)C

DOS

IR

Vibrations