Geometry & MOs

Info

ID:	34013
PubChem CID:	7889424
Reduced:	N3O3S3C16H21 (1)
Stoich.:	A3B3C3D16E21 (1)
Weight, g/mol:	316.03402
ΔH_f, kcal/mol:	-82.94
Dipole, Da:	2.11
IP(EA), eV:	-9.28(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone

Drug info:

PubChemData

Smile

CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)C(=O)CSC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations