Geometry & MOs

Info

ID:	132667
PubChem CID:	51396787
Reduced:	N2O5C20H30 (1)
Stoich.:	A2B5C20D30 (1)
Weight, g/mol:	379.223297
ΔH_f, kcal/mol:	-211.15
Dipole, Da:	6.54
IP(EA), eV:	-8.4(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-3-(3-ethoxycarbonyl-1,2-dimethylindol-5-yl)oxy-2-hydroxypropyl]-[(2S)-1-hydroxybutan-2-yl]azanium

Drug info:

PubChemData

Smile

CC[C@H](CO)NC[C@@H](COC1=CC2=C(C=C1)N(C(=C2C(=O)OCC)C)C)O

DOS

IR

Vibrations