Geometry & MOs

Info

ID:	210024
PubChem CID:	80751661
Reduced:	NSO2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	306.052172
ΔH_f, kcal/mol:	-122.7
Dipole, Da:	5.64
IP(EA), eV:	-9.28(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)SCC(=O)N[C@H](CO)C(=O)O

DOS

IR

Vibrations