Geometry & MOs

Info

ID:	223541
PubChem CID:	85335205
Reduced:	N3O4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	421.124941
ΔH_f, kcal/mol:	-48.3
Dipole, Da:	2.95
IP(EA), eV:	-9.24(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetamidophenoxy)-2-hydroxy-N-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C4(CC4C(=O)NO)C(=O)N(C)C

DOS

IR

Vibrations