Geometry & MOs

Info

ID:	39941
PubChem CID:	8143237
Reduced:	O4N5C18H25 (1)
Stoich.:	A4B5C18D25 (1)
Weight, g/mol:	386.00474
ΔH_f, kcal/mol:	-135.79
Dipole, Da:	8.83
IP(EA), eV:	-8.91(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dichloro-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]chromen-2-imine

Drug info:

PubChemData

Smile

CCNC(=O)CNC(=O)CN(CCOC)CC1=NC(=O)C2=CC=CC=C2N1

DOS

IR

Vibrations