Geometry & MOs

Info

ID:

105691

PubChem CID:

50139227

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

644.368619

ΔHf, kcal/mol:

-154.92

Dipole, Da:

10.0

IP(EA), eV:

 -8.67(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-methyl-3-(piperidine-1-carbonyl)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)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)N(C)C

DOS

IR

Vibrations