Geometry & MOs

Info

ID:	42571
PubChem CID:	8149718
Reduced:	SN2O2C20H28 (1)
Stoich.:	AB2C2D20E28 (1)
Weight, g/mol:	318.07348
ΔH_f, kcal/mol:	-108.52
Dipole, Da:	2.71
IP(EA), eV:	-8.76(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopropyl-[(1R)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

C[C@H]1C[C@]2(CC(C1)(C)C)C(=O)N(C(=O)N2)CCSC3=CC=C(C=C3)C

DOS

IR

Vibrations