Geometry & MOs

Info

ID:	43471
PubChem CID:	10321346
Reduced:	SO7C23H26 (1)
Stoich.:	AB7C23D26 (1)
Weight, g/mol:	446.151158
ΔH_f, kcal/mol:	-259.07
Dipole, Da:	1.21
IP(EA), eV:	-8.73(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-[1-(benzenesulfonyl)indol-2-yl]-1,3-dihydroxypropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)CC3=CC(=C(C=C3)OCCO)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

DOS

IR

Vibrations