Geometry & MOs

Info

ID:	240577
PubChem CID:	93581515
Reduced:	NO5C24H31 (1)
Stoich.:	AB5C24D31 (1)
Weight, g/mol:	481.132587
ΔH_f, kcal/mol:	-148.93
Dipole, Da:	2.76
IP(EA), eV:	-8.74(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations