Geometry & MOs

Info

ID:	33670
PubChem CID:	7887399
Reduced:	SN2O3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	363.143905
ΔH_f, kcal/mol:	-41.87
Dipole, Da:	5.31
IP(EA), eV:	-9.14(-1.52)
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-N-[(1S,2R)-2-methylcyclohexyl]propanamide

Drug info:

PubChemData

Smile

C[C@](C#N)(C1CC1)NC(=O)COC(=O)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations