Geometry & MOs

Info

ID:	49656
PubChem CID:	11533479
Reduced:	SO2N7C26H29 (1)
Stoich.:	AB2C7D26E29 (1)
Weight, g/mol:	503.147506
ΔH_f, kcal/mol:	29.35
Dipole, Da:	4.17
IP(EA), eV:	-8.61(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-benzyl-1-phenylethanamine;(2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CC3=C(N2)N=CN=C3NC4=CC5=C(C=C4)N=CS5)C(=O)CCCN6CCOCC6

DOS

IR

Vibrations