Geometry & MOs

Info

ID:	402093
PubChem CID:	135054324
Reduced:	ClN2O2H27C32 (1)
Stoich.:	AB2C2D27E32 (1)
Weight, g/mol:	488.246378
ΔH_f, kcal/mol:	41.43
Dipole, Da:	1.93
IP(EA), eV:	-8.51(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,4S,12R)-2-(4-methylphenyl)-12-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]carbamate

Drug info:

PubChemData

Smile

C1[C@H](NC2=C(C=CC=C2[C@H]1NC(=O)OCC3=CC=CC=C3)CC#CC4=CC=CC=C4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations