Geometry & MOs

Info

ID:	331504
PubChem CID:	127248911
Reduced:	FSN2O3C20H25 (1)
Stoich.:	ABC2D3E20F25 (1)
Weight, g/mol:	436.182064
ΔH_f, kcal/mol:	-145.24
Dipole, Da:	5.46
IP(EA), eV:	-9.12(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)C)O)CCOC3=CC=CC=C3F

DOS

IR

Vibrations