Geometry & MOs

Info

ID:	331520
PubChem CID:	127248927
Reduced:	ClSN2O3C21H27 (1)
Stoich.:	ABC2D3E21F27 (1)
Weight, g/mol:	416.213364
ΔH_f, kcal/mol:	-115.45
Dipole, Da:	4.36
IP(EA), eV:	-9.1(-0.45)
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]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(CC1)(C2=NC(=C(S2)CCOC3=CC=CC=C3Cl)C)O

DOS

IR

Vibrations