Geometry & MOs

Info

ID:	240347
PubChem CID:	93577937
Reduced:	N2S2O5C26H36 (1)
Stoich.:	A2B2C5D26E36 (1)
Weight, g/mol:	389.16608
ΔH_f, kcal/mol:	-205.81
Dipole, Da:	7.37
IP(EA), eV:	-8.59(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-[(4-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)N[C@@H]3CCS(=O)(=O)C3)NC[C@@H](COC4=CC=CC=C4)O

DOS

IR

Vibrations