Geometry & MOs

Info

ID:

229335

PubChem CID:

87567431

Reduced:

NO4C10H18 (2)

Stoich.:

AB4C10D18 (2)

Weight, g/mol:

594.229221

ΔHf, kcal/mol:

-406.35

Dipole, Da:

5.24

IP(EA), eV:

 -9.9(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[6-[[4-(4-acetamidophenyl)-6-amino-5-cyanopyrimidin-2-yl]-sulfanylmethyl]pyridin-2-yl]-N-(1-piperidin-1-ylethyl)propanamide;hydrochloride

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)OCCC(OC(=O)CCCC(=O)O)OC(=O)[C@H](C(C)CC)N)N

DOS

IR

Vibrations