Geometry & MOs

Info

ID:	271242
PubChem CID:	103650016
Reduced:	SN3O4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	310.059898
ΔH_f, kcal/mol:	-30.75
Dipole, Da:	7.05
IP(EA), eV:	-9.96(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxy-3-nitrophenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

CC(C1=NC=CS1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations