Geometry & MOs

Info

ID:	33330
PubChem CID:	7885984
Reduced:	OSN2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	408.128983
ΔH_f, kcal/mol:	14.76
Dipole, Da:	6.24
IP(EA), eV:	-8.91(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2R)-butan-2-yl]carbamoyl]-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C#N)CC=C)C

DOS

IR

Vibrations