Geometry & MOs

Info

ID:	240553
PubChem CID:	93581395
Reduced:	SN2O6C24H32 (1)
Stoich.:	AB2C6D24E32 (1)
Weight, g/mol:	439.11233
ΔH_f, kcal/mol:	-185.52
Dipole, Da:	6.36
IP(EA), eV:	-8.45(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-3-[[(3R)-1,1-dioxothiolan-3-yl]-(thiophen-2-ylmethyl)amino]-2-hydroxypropoxy]-3-methoxybenzaldehyde

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations