Geometry & MOs

Info

ID:	415623
PubChem CID:	135088622
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	357.114713
ΔH_f, kcal/mol:	-102.68
Dipole, Da:	2.06
IP(EA), eV:	-9.32(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)CC(=O)N[C@@H]2CCN(C[C@H]2O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations