Geometry & MOs

Info

ID:

109119

PubChem CID:

50273612

Reduced:

SO4N7C33H41 (1)

Stoich.:

AB4C7D33E41 (1)

Weight, g/mol:

609.331505

ΔHf, kcal/mol:

-112.41

Dipole, Da:

12.99

IP(EA), eV:

 -8.65(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-1-[1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=NN=C(S5)C(C)C

DOS

IR

Vibrations