Geometry & MOs

Info

ID:	415969
PubChem CID:	135088974
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	334.135114
ΔH_f, kcal/mol:	-152.42
Dipole, Da:	3.5
IP(EA), eV:	-8.32(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C(=O)[C@@H]4CCCCN4)OC

DOS

IR

Vibrations