Geometry & MOs

Info

ID:	28043
PubChem CID:	825290
Reduced:	NO2S2H7C10 (1)
Stoich.:	AB2C2D7E10 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-13.83
Dipole, Da:	3.47
IP(EA), eV:	-9.19(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-(dimethylamino)phenyl]butanedioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)/C=C/2\C(=O)SC(=S)N2

DOS

IR

Vibrations