Geometry & MOs

Info

ID:	302224
PubChem CID:	124360361
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-134.62
Dipole, Da:	3.6
IP(EA), eV:	-9.08(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(10aR)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-cyclohexylbenzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCCCC1)NC(=O)[C@H]2C(S[C@@H]3N2C(=O)C4=CC=CC=C34)(C)C

DOS

IR

Vibrations