Geometry & MOs

Info

ID:	218002
PubChem CID:	85088721
Reduced:	O2N3C26H33 (1)
Stoich.:	A2B3C26D33 (1)
Weight, g/mol:	419.195272
ΔH_f, kcal/mol:	-50.71
Dipole, Da:	4.48
IP(EA), eV:	-8.16(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-heptyl-4,4-bis(methylsulfanyl)-8-phenyl-10-oxa-7-azatricyclo[5.3.0.02,5]decan-6-one

Drug info:

PubChemData

Smile

CC(=CCN1C=C(C2=CC=CC=C21)CC3C(=O)N4CCCC4C(=O)N3CC=C(C)C)C

DOS

IR

Vibrations