Geometry & MOs

Info

ID:	331574
PubChem CID:	127248981
Reduced:	SN2O4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	-140.5
Dipole, Da:	5.53
IP(EA), eV:	-8.41(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-2-yl]-1-pyrimidin-2-ylazepan-4-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)C3CCCC3)O)COC4=CC=C(C=C4)OC

DOS

IR

Vibrations