Geometry & MOs

Info

ID:

190104

PubChem CID:

77954492

Reduced:

SN4O5C26H28 (1)

Stoich.:

AB4C5D26E28 (1)

Weight, g/mol:

468.176602

ΔHf, kcal/mol:

-120.64

Dipole, Da:

4.59

IP(EA), eV:

 -8.99(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-(1,3-thiazol-2-ylmethylamino)-4,5-dihydropyrimidin-4-yl]amino]-4-methylcyclopentyl]methanol

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)OC2=CC(=CC(=C2)OC)OC)NC3CC(C(C3)O)CO)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations