Geometry & MOs

Info

ID:	276356
PubChem CID:	103822380
Reduced:	SN2O3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	361.00803
ΔH_f, kcal/mol:	-120.43
Dipole, Da:	3.72
IP(EA), eV:	-9.99(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(2-bromo-5-chlorobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=CN=CS1

DOS

IR

Vibrations