Geometry & MOs

Info

ID:	240432
PubChem CID:	93578770
Reduced:	NS2O5C20H27 (1)
Stoich.:	AB2C5D20E27 (1)
Weight, g/mol:	473.05077
ΔH_f, kcal/mol:	-171.17
Dipole, Da:	5.03
IP(EA), eV:	-8.15(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(5-bromofuran-2-yl)methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-3-(4-methoxyphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C[C@@H](COC2=CC=C(C=C2)OC)O)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations