Geometry & MOs

Info

ID:	150587
PubChem CID:	53790280
Reduced:	N3O4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	585.260564
ΔH_f, kcal/mol:	-160.51
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.129540
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-[[2-(6-chloropyridin-2-yl)-2-hydroxyethyl]-[(2R)-1-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]amino]-2-hydroxypropoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](CC1=C[N+](C2=CC=CC=C21)(C(=O)[C@H](C)N)C(=O)O)NC(=O)C

DOS

IR

Vibrations