Geometry & MOs

Info

ID:	43326
PubChem CID:	10321135
Reduced:	SO2N4H22C25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	442.190184
ΔH_f, kcal/mol:	60.51
Dipole, Da:	5.4
IP(EA), eV:	-9.25(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R)-1-methylsulfanyl-3-(oxan-4-ylamino)cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)SCC(=O)NC1=CN(N=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations