Geometry & MOs

Info

ID:	165908
PubChem CID:	74612430
Reduced:	SO3N6C21H22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	432.114866
ΔH_f, kcal/mol:	48.87
Dipole, Da:	4.59
IP(EA), eV:	-8.9(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-chlorophenyl)ethyl-[2-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)CC4=NC(=O)C5C(=N4)C=CS5

DOS

IR

Vibrations