Geometry & MOs

Info

ID:

91059

PubChem CID:

49973055

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-207.15

Dipole, Da:

4.89

IP(EA), eV:

 -9.24(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations