Geometry & MOs

Info

ID:	217193
PubChem CID:	85087404
Reduced:	NSO2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	341.14495
ΔH_f, kcal/mol:	-75.79
Dipole, Da:	5.63
IP(EA), eV:	-9.33(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-1-phenyl-12-thia-10-azatetracyclo[8.3.1.03,11.06,11]tetradecane-13,14-dione

Drug info:

PubChemData

Smile

CC12CCCC3C14N(CCC2)C(=O)C(C3)(C(=O)S4)C5=CC=CC=C5

DOS

IR

Vibrations