Geometry & MOs

Info

ID:	141119
PubChem CID:	52820754
Reduced:	SN2O3C28H32 (1)
Stoich.:	AB2C3D28E32 (1)
Weight, g/mol:	438.06128
ΔH_f, kcal/mol:	-67.83
Dipole, Da:	10.61
IP(EA), eV:	-8.94(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[4-[[(2R)-2-(3-bromophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CN3CCN(CC3)C(=O)CCCC4=CC=CC=C4

DOS

IR

Vibrations