Geometry & MOs

Info

ID:	271860
PubChem CID:	103694356
Reduced:	BrClNO2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	290.96617
ΔH_f, kcal/mol:	-75.06
Dipole, Da:	1.81
IP(EA), eV:	-9.86(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-amino-3-(4-bromo-2-chlorophenyl)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations