Geometry & MOs

Info

ID:	139599
PubChem CID:	52567951
Reduced:	S2O3N4C14H18 (1)
Stoich.:	A2B3C4D14E18 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-76.37
Dipole, Da:	9.05
IP(EA), eV:	-9.42(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-nitro-4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]phenyl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C2=C(N=C(S2)C)C)[C@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations