Geometry & MOs

Info

ID:	197220
PubChem CID:	78938664
Reduced:	BrSN2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	308.038627
ΔH_f, kcal/mol:	42.55
Dipole, Da:	6.14
IP(EA), eV:	-9.17(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-chloro-4-(2-nitrophenyl)sulfanylphenyl]ethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-])Br)N

DOS

IR

Vibrations