Geometry & MOs

Info

ID:	331549
PubChem CID:	127248956
Reduced:	SN2O3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-94.13
Dipole, Da:	3.15
IP(EA), eV:	-8.29(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1CCCC(CC1)(C2=NC(=C(S2)COC3=CC=C(C=C3)OC)C)O

DOS

IR

Vibrations