Geometry & MOs

Info

ID:	346663
PubChem CID:	127271167
Reduced:	ON7C19H21 (1)
Stoich.:	AB7C19D21 (1)
Weight, g/mol:	375.136511
ΔH_f, kcal/mol:	76.68
Dipole, Da:	6.66
IP(EA), eV:	-8.76(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CN=CC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=N4)C

DOS

IR

Vibrations