Geometry & MOs

Info

ID:	331591
PubChem CID:	127248998
Reduced:	SO2N4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	444.208279
ΔH_f, kcal/mol:	-14.35
Dipole, Da:	3.05
IP(EA), eV:	-8.9(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-2-yl]azepan-4-ol

Drug info:

PubChemData

Smile

CCC1=NC=C(C=N1)CN2CCCC(CC2)(C3=NC(=C(S3)COC4=CC=CC=C4)C)O

DOS

IR

Vibrations