Geometry & MOs

Info

ID:	43880
PubChem CID:	10321924
Reduced:	SN2O3H26C27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	458.198777
ΔH_f, kcal/mol:	-41.43
Dipole, Da:	5.77
IP(EA), eV:	-8.99(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2S)-4-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-methylpiperazin-1-yl]-3-[(2-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)C1=C(NC(=NC1=O)SC(=O)CC2=CC=C(C=C2)OC)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations