Geometry & MOs

Info

ID:	240382
PubChem CID:	93578070
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	467.07659
ΔH_f, kcal/mol:	-56.12
Dipole, Da:	2.7
IP(EA), eV:	-7.99(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC[C@@H](CN(CC2=CC=C(C=C2)N(C)C)CC3=CC=CO3)O

DOS

IR

Vibrations