Geometry & MOs

Info

ID:	66413
PubChem CID:	46504532
Reduced:	S2N5O7C20H27 (1)
Stoich.:	A2B5C7D20E27 (1)
Weight, g/mol:	575.150841
ΔH_f, kcal/mol:	-244.6
Dipole, Da:	8.76
IP(EA), eV:	-9.35(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-5-morpholin-4-ylsulfonylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations