Geometry & MOs

Info

ID:	123335
PubChem CID:	50842852
Reduced:	F2S2N3O4H15C18 (1)
Stoich.:	A2B2C3D4E15F18 (1)
Weight, g/mol:	447.092263
ΔH_f, kcal/mol:	-135.2
Dipole, Da:	11.48
IP(EA), eV:	-8.94(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(E)-2-[5-[(4-methoxyphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1NC(=O)C)/C=C/C2=CC=C(S2)S(=O)(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations