Geometry & MOs

Info

ID:	214275
PubChem CID:	84974874
Reduced:	ClS2N3O3C17H27 (1)
Stoich.:	AB2C3D3E17F27 (1)
Weight, g/mol:	386.141262
ΔH_f, kcal/mol:	-96.91
Dipole, Da:	4.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754997
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)phenyl]methyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations