Geometry & MOs

Info

ID:	33666
PubChem CID:	7887385
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	358.08097
ΔH_f, kcal/mol:	-111.65
Dipole, Da:	2.56
IP(EA), eV:	-8.91(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H](N1C(=O)[C@@H](C)OC(=O)C2=CC3=CC=CC=C3S2)C

DOS

IR

Vibrations