Geometry & MOs

Info

ID:	208026
PubChem CID:	80481806
Reduced:	BrSN2O4C12H15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	305.96738
ΔH_f, kcal/mol:	-138.56
Dipole, Da:	2.42
IP(EA), eV:	-9.61(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-bromothiophen-2-yl)methylcarbamoylamino]propanoic acid

Drug info:

PubChemData

Smile

C1COCC(N1C(=O)NCC2=C(C=CS2)Br)CC(=O)O

DOS

IR

Vibrations