Geometry & MOs

Info

ID:	350702
PubChem CID:	127278990
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	-164.15
Dipole, Da:	7.92
IP(EA), eV:	-8.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

Drug info:

PubChemData

Smile

CC1(COCCN1CCNC(=O)C2=CC(=CC=C2)NC(=O)C3CCCO3)C

DOS

IR

Vibrations