Geometry & MOs

Info

ID:

83752

PubChem CID:

49860942

Reduced:

ClSN6O6C41H53 (1)

Stoich.:

ABC6D6E41F53 (1)

Weight, g/mol:

342.218639

ΔHf, kcal/mol:

-192.89

Dipole, Da:

16.04

IP(EA), eV:

 -8.77(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4,6-dimethylpyridin-2-yl)-1-[2-[di(propan-2-yl)amino]ethyl]-3-methylurea;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)S(=O)(=O)C5=CC6=C(C=C5)N=C(C=C6)N(C)C.Cl

DOS

IR

Vibrations