Geometry & MOs

Info

ID:	169962
PubChem CID:	75175573
Reduced:	ClSN3O4C26H32 (1)
Stoich.:	ABC3D4E26F32 (1)
Weight, g/mol:	483.219178
ΔH_f, kcal/mol:	-118.3
Dipole, Da:	1.15
IP(EA), eV:	-8.86(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-hydroxy-3-phenoxypropyl)-propan-2-ylamino]methyl]-5-(2-methoxyphenyl)-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)N(CC1NC2C(C(=CS2)C3=CC=CC=C3OC)C(=O)N1)CC(COC4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations