Geometry & MOs

Info

ID:	353637
PubChem CID:	127285214
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	372.198383
ΔH_f, kcal/mol:	-12.15
Dipole, Da:	3.46
IP(EA), eV:	-8.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=C2C3=C(CCC3)SC2=N1)NCC4(CCOCC4)N5CCCC5

DOS

IR

Vibrations