Geometry & MOs

Info

ID:	33331
PubChem CID:	7885986
Reduced:	S2O3N4C18H24 (1)
Stoich.:	A2B3C4D18E24 (1)
Weight, g/mol:	408.128983
ΔH_f, kcal/mol:	-109.96
Dipole, Da:	1.35
IP(EA), eV:	-8.79(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S)-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

CC[C@@H](C)NC(=O)NC(=O)CSC1=NC2=C(C(=C(S2)C)C)C(=O)N1CC=C

DOS

IR

Vibrations