Geometry & MOs

Info

ID:	331568
PubChem CID:	127248975
Reduced:	SF2N2O4C20H24 (1)
Stoich.:	AB2C2D4E20F24 (1)
Weight, g/mol:	402.197714
ΔH_f, kcal/mol:	-219.76
Dipole, Da:	4.63
IP(EA), eV:	-9.36(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)COC)O)COC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations