Geometry & MOs

Info

ID:	169957
PubChem CID:	75175038
Reduced:	SN3O3C21H35 (1)
Stoich.:	AB3C3D21E35 (1)
Weight, g/mol:	465.229742
ΔH_f, kcal/mol:	-128.47
Dipole, Da:	6.07
IP(EA), eV:	-8.94(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethoxyphenyl)-2-[[ethyl-(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CN(CCC(C)C)CC(COC(C)(C)C)O)C

DOS

IR

Vibrations