Geometry & MOs

Info

ID:	402188
PubChem CID:	135054819
Reduced:	O2N3H27C33 (1)
Stoich.:	A2B3C27D33 (1)
Weight, g/mol:	497.210327
ΔH_f, kcal/mol:	83.18
Dipole, Da:	3.63
IP(EA), eV:	-8.64(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,4S)-2-(4-cyanophenyl)-12-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-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)C#N

DOS

IR

Vibrations