Geometry & MOs

Info

ID:	55415
PubChem CID:	17395356
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	373.193632
ΔH_f, kcal/mol:	-143.79
Dipole, Da:	4.83
IP(EA), eV:	-8.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-2-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(C)NC(=O)CNC(=O)C2=CC=C(S2)C)OCC

DOS

IR

Vibrations