Geometry & MOs

Info

ID:	240570
PubChem CID:	93581498
Reduced:	NSO5C22H29 (1)
Stoich.:	ABC5D22E29 (1)
Weight, g/mol:	451.146487
ΔH_f, kcal/mol:	-152.5
Dipole, Da:	4.86
IP(EA), eV:	-8.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-3-[[(3R)-1,1-dioxothiolan-3-yl]-[(2-fluorophenyl)methyl]amino]-2-hydroxypropoxy]-3-methoxybenzaldehyde

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C[C@@H]2CCCO2)C[C@@H](COC3=C(C=C(C=C3)C=O)OC)O

DOS

IR

Vibrations