Geometry & MOs

Info

ID:	79980
PubChem CID:	49831967
Reduced:	BrClNO2C10H13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	221.027727
ΔH_f, kcal/mol:	-100.43
Dipole, Da:	5.12
IP(EA), eV:	-9.52(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-amino-3-thiophen-2-ylpropanoate;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C[C@@H](C1=CC=C(C=C1)Br)N.Cl

DOS

IR

Vibrations