Geometry & MOs

Info

ID:	328176
PubChem CID:	126693078
Reduced:	ON5C11H19 (1)
Stoich.:	AB5C11D19 (1)
Weight, g/mol:	471.149574
ΔH_f, kcal/mol:	16.64
Dipole, Da:	6.1
IP(EA), eV:	-8.88(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(2-hydroxy-2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

CC1=NN=C(O1)N2CC3C(C3(C2)C)NC(C)N

DOS

IR

Vibrations