Geometry & MOs

Info

ID:	320300
PubChem CID:	126659383
Reduced:	SN3H31C47 (1)
Stoich.:	AB3C31D47 (1)
Weight, g/mol:	296.092594
ΔH_f, kcal/mol:	220.07
Dipole, Da:	3.66
IP(EA), eV:	-7.78(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]-methylphosphonamidic acid

Drug info:

PubChemData

Smile

C1C=CC2=C(N1)N(C3=CC=CC=C23)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC(=C7)C8=CC(=CC=C8)C9=CC=CC1=C9SC2=CC=CC=C12

DOS

IR

Vibrations