Geometry & MOs

Info

ID:	331527
PubChem CID:	127248934
Reduced:	SN2O3C23H32 (1)
Stoich.:	AB2C3D23E32 (1)
Weight, g/mol:	420.163827
ΔH_f, kcal/mol:	-74.49
Dipole, Da:	2.36
IP(EA), eV:	-8.35(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)CC3CC3)O)CCOC4=CC=C(C=C4)OC

DOS

IR

Vibrations