Geometry & MOs

Info

ID:	34000
PubChem CID:	7889353
Reduced:	S2N3H7C9 (1)
Stoich.:	A2B3C7D9 (1)
Weight, g/mol:	387.034748
ΔH_f, kcal/mol:	85.64
Dipole, Da:	4.26
IP(EA), eV:	-9.26(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C#N)SC1=NC=NC2=C1C=CS2

DOS

IR

Vibrations