Geometry & MOs

Info

ID:	34034
PubChem CID:	7889500
Reduced:	O2S2N4H16C17 (1)
Stoich.:	A2B2C4D16E17 (1)
Weight, g/mol:	400.102768
ΔH_f, kcal/mol:	-9.58
Dipole, Da:	2.87
IP(EA), eV:	-9.3(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations