Geometry & MOs

Info

ID:

160910

PubChem CID:

57390212

Reduced:

O2N3C22H29 (1)

Stoich.:

A2B3C22D29 (1)

Weight, g/mol:

538.261377

ΔHf, kcal/mol:

-56.0

Dipole, Da:

4.45

IP(EA), eV:

 -8.39(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-6-[(2,2-dimethylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCC(CC)C1=C2C(=O)N(C(=NN2C(=C1)C)C3=C(C=C(C=C3C)OC)C)C

DOS

IR

Vibrations