Geometry & MOs

Info

ID:	43677
PubChem CID:	10321635
Reduced:	SN2O4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	452.188212
ΔH_f, kcal/mol:	-104.28
Dipole, Da:	4.04
IP(EA), eV:	-8.71(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-2-[4-[2-(diethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC(=O)N(CCO)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C

DOS

IR

Vibrations