Geometry & MOs

Info

ID:	391355
PubChem CID:	135004472
Reduced:	NO3H11C15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	315.069592
ΔH_f, kcal/mol:	22.57
Dipole, Da:	6.53
IP(EA), eV:	-9.3(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-2-[[(R)-tert-butylsulfinyl]amino]-4-(4-chlorophenyl)but-3-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=CC3=C(O2)C(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations