Geometry & MOs

Info

ID:	43818
PubChem CID:	10321831
Reduced:	SO2N3H16C23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	456.183127
ΔH_f, kcal/mol:	53.61
Dipole, Da:	6.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.782204
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;[4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=[N+](C(=NC(=O)C3=CC=CC=C3)SO2)CC4=CC=CC=C4C#N

DOS

IR

Vibrations