Geometry & MOs

Info

ID:	36486
PubChem CID:	8007432
Reduced:	SCl2N2O4H11C17 (1)
Stoich.:	AB2C2D4E11F17 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-71.71
Dipole, Da:	4.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.831794
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-morpholin-4-ylpropan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)[O-])CN2C(=O)[C@H](SC2=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations