Geometry & MOs

Info

ID:

180429

PubChem CID:

76631139

Reduced:

S2N4O6C25H28 (1)

Stoich.:

A2B4C6D25E28 (1)

Weight, g/mol:

627.193374

ΔHf, kcal/mol:

-96.48

Dipole, Da:

3.87

IP(EA), eV:

 -8.84(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[3-(dimethylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-(pyrimidin-2-ylmethoxyimino)acetamide

Drug info:

PubChemData

Smile

CNCCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=NOC3CCOC3)C4=CC=C(C=C4)S(=O)(=O)C5CC5

DOS

IR

Vibrations