Geometry & MOs

Info

ID:	54289
PubChem CID:	16958746
Reduced:	N3O5H15C18 (1)
Stoich.:	A3B5C15D18 (1)
Weight, g/mol:	392.022467
ΔH_f, kcal/mol:	-63.13
Dipole, Da:	4.91
IP(EA), eV:	-9.45(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N

DOS

IR

Vibrations