Geometry & MOs

Info

ID:	33633
PubChem CID:	7887291
Reduced:	NOCl2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	358.08097
ΔH_f, kcal/mol:	-59.48
Dipole, Da:	2.43
IP(EA), eV:	-9.59(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-2-phenylacetate

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@H]1C[C@@H]2CC(=O)NCCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations