Geometry & MOs

Info

ID:	220548
PubChem CID:	85197740
Reduced:	N5H17C20 (1)
Stoich.:	A5B17C20 (1)
Weight, g/mol:	327.114044
ΔH_f, kcal/mol:	114.92
Dipole, Da:	5.64
IP(EA), eV:	-8.69(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(benzenesulfonyl)-4-hydroxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=NC(=NC2=NC=C1C=CC3=CC=CC4=CC=CC=C43)N)N

DOS

IR

Vibrations