Geometry & MOs

Info

ID:	275644
PubChem CID:	103816864
Reduced:	NSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	278.105528
ΔH_f, kcal/mol:	-49.98
Dipole, Da:	1.73
IP(EA), eV:	-9.15(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)CCC3=CC=CS3)O

DOS

IR

Vibrations