Geometry & MOs

Info

ID:	331571
PubChem CID:	127248978
Reduced:	ClSN2O4C21H27 (1)
Stoich.:	ABC2D4E21F27 (1)
Weight, g/mol:	440.158135
ΔH_f, kcal/mol:	-147.7
Dipole, Da:	2.9
IP(EA), eV:	-9.02(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-[(3,4-difluorophenoxy)methyl]-4-methyl-1,3-thiazol-2-yl]-4-hydroxyazepan-1-yl]-3-methoxypropan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)CCOC)O)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations