Geometry & MOs

Info

ID:	181695
PubChem CID:	76777746
Reduced:	PSN6O11C20H25 (1)
Stoich.:	ABC6D11E20F25 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-442.08
Dipole, Da:	8.71
IP(EA), eV:	-9.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1C2(C(C(O1)C(O2)N3C=CC(=NC3=O)N)OP(=S)(O)OCC45COC(C4O)C(O5)N6C=CC(=NC6=O)N)CO

DOS

IR

Vibrations