Geometry & MOs

Info

ID:	135653
PubChem CID:	51910346
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	-6.81
Dipole, Da:	2.54
IP(EA), eV:	-9.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[(7S)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]oxy]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=NC=NC(=C23)OCC(=O)N[C@@](C)(C#N)C4CC4

DOS

IR

Vibrations