Geometry & MOs

Info

ID:	336338
PubChem CID:	127255345
Reduced:	BrON3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	405.09139
ΔH_f, kcal/mol:	12.88
Dipole, Da:	6.27
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1NC3=C2C=CC=C3Br)C(=O)CCCN4C=CC=C4

DOS

IR

Vibrations