Geometry & MOs

Info

ID:	431679
PubChem CID:	135171775
Reduced:	SO2F3N4C23H33 (1)
Stoich.:	AB2C3D4E23F33 (1)
Weight, g/mol:	544.233839
ΔH_f, kcal/mol:	-222.4
Dipole, Da:	8.54
IP(EA), eV:	-8.88(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-5-(benzylamino)-6-(diethoxyphosphorylmethoxy)indol-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C)C1=CC(=C(C=C1)N(CC(C)C)CC(C)C)NC2=NN=C(S2)C(F)(F)F

DOS

IR

Vibrations