Geometry & MOs

Info

ID:	169963
PubChem CID:	75175574
Reduced:	SN3O4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	481.203528
ΔH_f, kcal/mol:	-106.91
Dipole, Da:	2.59
IP(EA), eV:	-8.84(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[cyclopropyl-(2-hydroxy-3-phenoxypropyl)amino]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=CC=C4)O

DOS

IR

Vibrations