Geometry & MOs

Info

ID:	382296
PubChem CID:	134973362
Reduced:	SN2H20C26 (1)
Stoich.:	AB2C20D26 (1)
Weight, g/mol:	382.202321
ΔH_f, kcal/mol:	120.52
Dipole, Da:	3.21
IP(EA), eV:	-8.19(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5Z,7R,11R,12S)-2,10-dibutyl-12-chloro-7-ethoxy-2,10-diazatricyclo[6.4.0.04,11]dodec-5-ene-3,9-dione

Drug info:

PubChemData

Smile

CNC1=C(C(=CC2=C1SC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations