Geometry & MOs

Info

ID:	151064
PubChem CID:	53790761
Reduced:	BrS2N6O8H15C16 (1)
Stoich.:	AB2C6D8E15F16 (1)
Weight, g/mol:	107.013791
ΔH_f, kcal/mol:	-195.74
Dipole, Da:	7.59
IP(EA), eV:	-9.46(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(chloroamino)propanal

Drug info:

PubChemData

Smile

CON=C(C1=C(SC(=N1)NC=O)Br)C(=O)NC2[C@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O

DOS

IR

Vibrations