Geometry & MOs

Info

ID:	336020
PubChem CID:	127255027
Reduced:	N5O5H25C27 (1)
Stoich.:	A5B5C25D27 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-83.39
Dipole, Da:	5.39
IP(EA), eV:	-9.18(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC=C(C=C3)OC4=C(C=CC=N4)C#N)O

DOS

IR

Vibrations