Geometry & MOs

Info

ID:	315617
PubChem CID:	126628219
Reduced:	N2O7C28H32 (1)
Stoich.:	A2B7C28D32 (1)
Weight, g/mol:	440.171238
ΔH_f, kcal/mol:	-214.69
Dipole, Da:	4.88
IP(EA), eV:	-8.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-carbamoyl-5-(diethoxyphosphorylmethoxy)indol-1-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OCC5=CC=CC=C5)CC(=O)OC(C)(C)C

DOS

IR

Vibrations