Geometry & MOs

Info

ID:	62632
PubChem CID:	26732566
Reduced:	ClSN2O7C15H17 (1)
Stoich.:	ABC2D7E15F17 (1)
Weight, g/mol:	404.0445
ΔH_f, kcal/mol:	-204.36
Dipole, Da:	4.38
IP(EA), eV:	-10.03(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] 2-chloro-5-nitrobenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations