Geometry & MOs

Info

ID:	33640
PubChem CID:	7887302
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	392.134068
ΔH_f, kcal/mol:	-112.69
Dipole, Da:	4.45
IP(EA), eV:	-9.06(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(cyclohexylcarbamoyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations