Geometry & MOs

Info

ID:	240538
PubChem CID:	93581334
Reduced:	NS2O5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	437.133065
ΔH_f, kcal/mol:	-171.54
Dipole, Da:	5.27
IP(EA), eV:	-8.72(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R)-3-[[(3R)-1,1-dioxothiolan-3-yl]-[(3-methylthiophen-2-yl)methyl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C[C@@H](COC2=CC=CC=C2C(=O)C)O)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations