Geometry & MOs

Info

ID:	127198
PubChem CID:	50994216
Reduced:	SO3N5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	366.043911
ΔH_f, kcal/mol:	0.16
Dipole, Da:	4.46
IP(EA), eV:	-9.19(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-6-(trifluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N(C)NC)NC(=O)C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CS3

DOS

IR

Vibrations