Geometry & MOs

Info

ID:	237114
PubChem CID:	92717399
Reduced:	BrON3C18H26 (1)
Stoich.:	ABC3D18E26 (1)
Weight, g/mol:	465.145534
ΔH_f, kcal/mol:	-43.41
Dipole, Da:	4.8
IP(EA), eV:	-8.58(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13R)-13-(5-chloro-2-hydroxyphenyl)-3,5,10,10-tetramethyl-8-phenyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)NC[C@@H]2CCN(C2)C3CCCC3)Br

DOS

IR

Vibrations