Geometry & MOs

Info

ID:	275604
PubChem CID:	103816755
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	362.99286
ΔH_f, kcal/mol:	-86.5
Dipole, Da:	1.26
IP(EA), eV:	-9.37(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromothiophen-2-yl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations