Geometry & MOs

Info

ID:	156188
PubChem CID:	56369443
Reduced:	SO3N7C22H29 (1)
Stoich.:	AB3C7D22E29 (1)
Weight, g/mol:	377.064569
ΔH_f, kcal/mol:	-44.12
Dipole, Da:	5.36
IP(EA), eV:	-9.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CC3=C(N4C(=NC(=N4)N)N=C3C)C

DOS

IR

Vibrations