Geometry & MOs

Info

ID:	154211
PubChem CID:	56313616
Reduced:	N2S2O4C23H24 (1)
Stoich.:	A2B2C4D23E24 (1)
Weight, g/mol:	439.22712
ΔH_f, kcal/mol:	-93.51
Dipole, Da:	4.4
IP(EA), eV:	-8.46(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C2=CC=CC=C2)C(=O)C3=C(C=CS3)S(=O)(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations