Geometry & MOs

Info

ID:	178034
PubChem CID:	76266846
Reduced:	ClS2O3N4C22H25 (1)
Stoich.:	AB2C3D4E22F25 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	3.64
IP(EA), eV:	-9.05(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methoxyphenyl)-2-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-4aH-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CSC(C)C(=O)NCCCC(=O)NC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations