Geometry & MOs

Info

ID:	230130
PubChem CID:	87570275
Reduced:	FS2O3N5H16C18 (1)
Stoich.:	AB2C3D5E16F18 (1)
Weight, g/mol:	523.202859
ΔH_f, kcal/mol:	-65.87
Dipole, Da:	3.33
IP(EA), eV:	-9.18(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-[4-[3-[ethyl-(2-methoxyphenoxy)amino]-2-hydroxypropoxy]phenyl]-3-(4-methylsulfanylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)C3=NC(=CS3)CN4C=CC=N4)F)CNC(=O)S

DOS

IR

Vibrations