Geometry & MOs

Info

ID:	343852
PubChem CID:	127267028
Reduced:	FO2N3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	304.099397
ΔH_f, kcal/mol:	-134.55
Dipole, Da:	6.45
IP(EA), eV:	-9.28(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-methyl-1,3-benzothiazol-2-yl)pyrrolidine-3,4-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC1CCCCN1C2=CC(=NC=N2)F

DOS

IR

Vibrations