Geometry & MOs

Info

ID:	159725
PubChem CID:	57288670
Reduced:	N3O3C11H17 (1)
Stoich.:	A3B3C11D17 (1)
Weight, g/mol:	492.226037
ΔH_f, kcal/mol:	-63.17
Dipole, Da:	2.92
IP(EA), eV:	-9.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-2-[[(2R,3R)-2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-3-hydroxypropanoyl]amino]propyl]indole-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)NCCCC(=NC#C)C(=O)OC)N

DOS

IR

Vibrations