Geometry & MOs

Info

ID:	33419
PubChem CID:	7886368
Reduced:	OS2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	361.128255
ΔH_f, kcal/mol:	-27.33
Dipole, Da:	2.15
IP(EA), eV:	-8.83(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-cyclopentyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCC1)SC2=NC=NC3=C2C4=C(S3)CCCC4

DOS

IR

Vibrations