Geometry & MOs

Info

ID:	398767
PubChem CID:	135035315
Reduced:	NSO3H15C18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	486.3974
ΔH_f, kcal/mol:	-51.35
Dipole, Da:	6.94
IP(EA), eV:	-8.9(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,10S,13R,14S,17R,18R)-2,18-dimethyl-17-[(2R)-6-methylheptan-2-yl]-5-phenyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-diene

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=CC3=CC=CC=C32)C=O

DOS

IR

Vibrations