Geometry & MOs

Info

ID:	431706
PubChem CID:	135171802
Reduced:	ClFN3O3C26H35 (1)
Stoich.:	ABC3D3E26F35 (1)
Weight, g/mol:	532.164439
ΔH_f, kcal/mol:	-170.35
Dipole, Da:	3.02
IP(EA), eV:	-8.65(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)C1=CC(=C(C(=C1)F)N(CC(C)C)C2CCOCC2)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations