Geometry & MOs

Info

ID:	139514
PubChem CID:	52545048
Reduced:	SN4O4C22H22 (1)
Stoich.:	AB4C4D22E22 (1)
Weight, g/mol:	469.112999
ΔH_f, kcal/mol:	-50.11
Dipole, Da:	7.2
IP(EA), eV:	-9.04(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

DOS

IR

Vibrations