Geometry & MOs

Info

ID:	33332
PubChem CID:	7885988
Reduced:	S2O3N4C18H24 (1)
Stoich.:	A2B3C4D18E24 (1)
Weight, g/mol:	417.129317
ΔH_f, kcal/mol:	-110.02
Dipole, Da:	1.45
IP(EA), eV:	-8.76(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide

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