Geometry & MOs

Info

ID:	169878
PubChem CID:	75160878
Reduced:	O2S2N4C25H28 (1)
Stoich.:	A2B2C4D25E28 (1)
Weight, g/mol:	510.212319
ΔH_f, kcal/mol:	22.07
Dipole, Da:	7.87
IP(EA), eV:	-8.43(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4CC4)N5CCN(CC5)S(=O)(=O)C=CC6=CC=CC=C6

DOS

IR

Vibrations