Geometry & MOs

Info

ID:	257367
PubChem CID:	103145556
Reduced:	SN3O4C13H19 (1)
Stoich.:	AB3C4D13E19 (1)
Weight, g/mol:	297.096085
ΔH_f, kcal/mol:	-83.03
Dipole, Da:	6.89
IP(EA), eV:	-9.36(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2,5-dimethyl-4-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NS(=O)(=O)C2CCNCC2

DOS

IR

Vibrations