Geometry & MOs

Info

ID:	11896
PubChem CID:	122995
Reduced:	BrNSO4C9H18 (1)
Stoich.:	ABCD4E9F18 (1)
Weight, g/mol:	315.01399
ΔH_f, kcal/mol:	-172.56
Dipole, Da:	2.5
IP(EA), eV:	-9.37(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-3-(2-bromopropylsulfanyl)-2-(1-hydroxyethoxyamino)propanoate

Drug info:

PubChemData

Smile

CC(CSC[C@@H](C(=O)OC)NOC(C)O)Br

DOS

IR

Vibrations