Geometry & MOs

Info

ID:	185257
PubChem CID:	77277630
Reduced:	FON3C22H26 (1)
Stoich.:	ABC3D22E26 (1)
Weight, g/mol:	465.046456
ΔH_f, kcal/mol:	-51.12
Dipole, Da:	3.23
IP(EA), eV:	-8.98(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(2-fluoropyridin-3-yl)-1-thiophen-3-ylsulfonylpyrrol-3-yl]-(methylamino)methoxy]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC(C1CCCN1)C2CCCN2C(=O)C3=C(C=C(C=C3)C4=CN=CC=C4)F

DOS

IR

Vibrations