Geometry & MOs

Info

ID:	33987
PubChem CID:	7889291
Reduced:	OCl2S2N4H10C14 (1)
Stoich.:	AB2C2D4E10F14 (1)
Weight, g/mol:	373.055484
ΔH_f, kcal/mol:	41.85
Dipole, Da:	4.17
IP(EA), eV:	-9.03(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=N1)Cl)Cl)SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations