Geometry & MOs

Info

ID:	331544
PubChem CID:	127248951
Reduced:	O2S2N3C23H29 (1)
Stoich.:	A2B2C3D23E29 (1)
Weight, g/mol:	432.208279
ΔH_f, kcal/mol:	-24.49
Dipole, Da:	3.25
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-4-[4-methyl-5-(2-phenoxyethyl)-1,3-thiazol-2-yl]azepan-1-yl]-2-methoxy-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)CC3=CN=C(S3)C)O)CCOC4=CC=CC=C4

DOS

IR

Vibrations