Geometry & MOs

Info

ID:	383206
PubChem CID:	134974796
Reduced:	INOSC16H16 (1)
Stoich.:	ABCDE16F16 (1)
Weight, g/mol:	377.090807
ΔH_f, kcal/mol:	35.77
Dipole, Da:	5.26
IP(EA), eV:	-8.13(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1[C@H](C2=CC=CC=C2N=[S+]1(C3=CC=CC=C3)[O-])CCI

DOS

IR

Vibrations