Geometry & MOs

Info

ID:	187132
PubChem CID:	77534554
Reduced:	NCl2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	567.313078
ΔH_f, kcal/mol:	-95.12
Dipole, Da:	5.52
IP(EA), eV:	-9.52(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[3-tert-butylsulfanyl-2-(2-hydroxy-2-methylpropyl)-1-(pyridin-2-ylmethyl)indol-5-yl]oxymethyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C=CC12CC1(CCN(C2)C(=O)O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations