Geometry & MOs

Info

ID:	157406
PubChem CID:	56424025
Reduced:	BrSN2O2C18H21 (1)
Stoich.:	ABC2D2E18F21 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-49.07
Dipole, Da:	2.87
IP(EA), eV:	-8.9(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propylcarbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)CCCNC(=O)COC3=CC=C(C=C3)Br

DOS

IR

Vibrations