Geometry & MOs

Info

ID:	36356
PubChem CID:	8002197
Reduced:	SO2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	390.197714
ΔH_f, kcal/mol:	6.53
Dipole, Da:	6.51
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=NN=C2SCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations