Geometry & MOs

Info

ID:	145510
PubChem CID:	53536507
Reduced:	S2O4N5H17C18 (1)
Stoich.:	A2B4C5D17E18 (1)
Weight, g/mol:	336.039163
ΔH_f, kcal/mol:	-42.76
Dipole, Da:	9.36
IP(EA), eV:	-9.29(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-cyano-2-(trifluoromethyl)phenyl]sulfonyl-2-methoxypropanamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(S2)NC(=O)C3=CC=CO3)C(=O)NC4=NN=CS4

DOS

IR

Vibrations