Geometry & MOs

Info

ID:	331403
PubChem CID:	127248810
Reduced:	SO3N6C21H24 (1)
Stoich.:	AB3C6D21E24 (1)
Weight, g/mol:	444.190989
ΔH_f, kcal/mol:	-0.64
Dipole, Da:	2.59
IP(EA), eV:	-8.6(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]morpholin-4-yl]-(3-methyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C

DOS

IR

Vibrations