Geometry & MOs

Info

ID:	169965
PubChem CID:	75175576
Reduced:	SN3O4C26H37 (1)
Stoich.:	AB3C4D26E37 (1)
Weight, g/mol:	431.224263
ΔH_f, kcal/mol:	-127.68
Dipole, Da:	5.1
IP(EA), eV:	-8.55(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-hydroxyhex-5-enyl(propyl)amino]methyl]-5-(2-methoxyphenyl)-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CSC3C2C(=O)NC(N3)CN(CC(COCC=C)O)C4CCCCC4

DOS

IR

Vibrations