Geometry & MOs

Info

ID:	42560
PubChem CID:	8149705
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	304.148359
ΔH_f, kcal/mol:	-17.84
Dipole, Da:	3.12
IP(EA), eV:	-8.94(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopropyl-[(1R)-1-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethyl]azanium

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1OC)N[C@H](C)C(=O)NC2=CC=CC=C2C#N

DOS

IR

Vibrations