Geometry & MOs

Info

ID:	63832
PubChem CID:	26759274
Reduced:	S2N3O6C21H27 (1)
Stoich.:	A2B3C6D21E27 (1)
Weight, g/mol:	430.081027
ΔH_f, kcal/mol:	-203.02
Dipole, Da:	14.54
IP(EA), eV:	-8.91(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

DOS

IR

Vibrations