Geometry & MOs

Info

ID:	89776
PubChem CID:	49964441
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	409.124232
ΔH_f, kcal/mol:	-97.93
Dipole, Da:	6.46
IP(EA), eV:	-9.39(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(2-methoxyethyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-4-thia-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,5-trien-8-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC2=C(CN(C2)CC3CCCO3)C(=O)O

DOS

IR

Vibrations