Geometry & MOs

Info

ID:	449744
PubChem CID:	135301111
Reduced:	SO2F3N7H18C30 (1)
Stoich.:	AB2C3D7E18F30 (1)
Weight, g/mol:	375.168188
ΔH_f, kcal/mol:	47.22
Dipole, Da:	11.41
IP(EA), eV:	-9.8(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(6-formyl-2-methoxy-3-prop-2-ynoxyphenoxy)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C(C2=C(C=C(C=C2)F)C3=NN=NN31)(C(C4=NC=C(C=C4)C#CC5=CC=C(S5)C(=O)NCC6=CC=C(C=C6)C#N)(F)F)O

DOS

IR

Vibrations