Geometry & MOs

Info

ID:	240377
PubChem CID:	93578025
Reduced:	NO3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	389.16608
ΔH_f, kcal/mol:	-102.1
Dipole, Da:	4.09
IP(EA), eV:	-8.78(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[benzyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-3-(4-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(C[C@@H]2CCCO2)C[C@@H](COC3=CC=CC=C3)O

DOS

IR

Vibrations