Geometry & MOs

Info

ID:	135652
PubChem CID:	51910279
Reduced:	F3O3N4C22H25 (1)
Stoich.:	A3B3C4D22E25 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	-207.59
Dipole, Da:	7.24
IP(EA), eV:	-8.14(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC(=O)NC1=C(C(=C(C=C1)F)F)F)N2CCN(CC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations