Geometry & MOs

Info

ID:	154321
PubChem CID:	56313737
Reduced:	N3O4C22H37 (1)
Stoich.:	A3B4C22D37 (1)
Weight, g/mol:	433.056627
ΔH_f, kcal/mol:	-191.34
Dipole, Da:	1.86
IP(EA), eV:	-9.38(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)N2CCCC(C2)CN(C(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations