Geometry & MOs

Info

ID:	426145
PubChem CID:	135141306
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	533.214841
ΔH_f, kcal/mol:	-92.54
Dipole, Da:	2.76
IP(EA), eV:	-9.38(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-[3-[1-[[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]benzoyl]amino]propyl]phenyl]-N-(oxan-4-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CN=CC(=C1)C2=CSC(=C2)C(=O)NC3CCOCC3)O

DOS

IR

Vibrations