Geometry & MOs

Info

ID:	387452
PubChem CID:	134985436
Reduced:	NO5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	349.965909
ΔH_f, kcal/mol:	-144.28
Dipole, Da:	4.42
IP(EA), eV:	-9.79(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dichlorophenyl)imino-[4-(trifluoromethyl)phenyl]imino-lambda4-sulfane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@]1(CCCC1=O)[C@@H](C[N+](=O)[O-])C2=CC=CC=C2

DOS

IR

Vibrations