Geometry & MOs

Info

ID:	431915
PubChem CID:	135172042
Reduced:	N2O5C24H24 (1)
Stoich.:	A2B5C24D24 (1)
Weight, g/mol:	537.224002
ΔH_f, kcal/mol:	-138.31
Dipole, Da:	4.87
IP(EA), eV:	-8.66(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=CC(=C(C=C21)N=C=O)OCC3=CC=CC=C3)CC(=O)OC(C)(C)C

DOS

IR

Vibrations