Geometry & MOs

Info

ID:	34012
PubChem CID:	7889421
Reduced:	OS2N4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	399.074505
ΔH_f, kcal/mol:	60.43
Dipole, Da:	2.49
IP(EA), eV:	-9.35(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

Drug info:

PubChemData

Smile

C[C@@](C#N)(C1CC1)NC(=O)CSC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations