Geometry & MOs

Info

ID:	346612
PubChem CID:	127271116
Reduced:	N3O4C16H25 (1)
Stoich.:	A3B4C16D25 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-201.32
Dipole, Da:	4.55
IP(EA), eV:	-9.6(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxo-N-[1-(oxolan-2-yl)propan-2-yl]-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)CN2C(=O)C3(CCCC3)NC2=O

DOS

IR

Vibrations