Geometry & MOs

Info

ID:	34019
PubChem CID:	7889452
Reduced:	S2O3N4C16H18 (1)
Stoich.:	A2B3C4D16E18 (1)
Weight, g/mol:	378.082033
ΔH_f, kcal/mol:	-77.49
Dipole, Da:	3.18
IP(EA), eV:	-9.16(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-ethyl-2-oxo-6-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1C(=C(NC(=O)N1)CSC2=NC=NC3=C2C=CS3)C(=O)OCC

DOS

IR

Vibrations