Geometry & MOs

Info

ID:

234071

PubChem CID:

92297662

Reduced:

SO3N6C29H36 (1)

Stoich.:

AB3C6D29E36 (1)

Weight, g/mol:

550.236225

ΔHf, kcal/mol:

-68.77

Dipole, Da:

5.99

IP(EA), eV:

 -8.02(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-[(1S)-1-[4-(dimethylamino)phenyl]-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-(2,3-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N([C@@H](C2=CC=C(C=C2)N(C)C)C(=O)NC3CCCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N)C

DOS

IR

Vibrations