Geometry & MOs

Info

ID:	169877
PubChem CID:	75160868
Reduced:	OSN4C28H34 (1)
Stoich.:	ABC4D28E34 (1)
Weight, g/mol:	480.165369
ΔH_f, kcal/mol:	20.5
Dipole, Da:	4.65
IP(EA), eV:	-8.58(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-4-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CCCC1=NC(=C2C3=C(CC(CC3)C)SC2=N1)N4CCN(CC4)C(=O)C5CC5C6=CC=CC=C6

DOS

IR

Vibrations