Geometry & MOs

Info

ID:	331582
PubChem CID:	127248989
Reduced:	S2N3O3C22H25 (1)
Stoich.:	A2B3C3D22E25 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-56.27
Dipole, Da:	5.38
IP(EA), eV:	-9.05(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-hydroxy-4-[4-methyl-5-(phenoxymethyl)-1,3-thiazol-2-yl]azepan-1-yl]-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)C3=C(N=CS3)C)O)COC4=CC=CC=C4

DOS

IR

Vibrations