Geometry & MOs

Info

ID:	282854
PubChem CID:	103942394
Reduced:	ClNS2O3H10C12 (1)
Stoich.:	ABC2D3E10F12 (1)
Weight, g/mol:	299.003448
ΔH_f, kcal/mol:	-5.28
Dipole, Da:	3.07
IP(EA), eV:	-9.23(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(1S)-1-hydroxyethyl]-3-nitrothiophen-2-yl]sulfanyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(S1)SC2=CC=CC=C2Cl)[N+](=O)[O-])O

DOS

IR

Vibrations