Geometry & MOs

Info

ID:	46148
PubChem CID:	10522522
Reduced:	FO3N4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	360.049001
ΔH_f, kcal/mol:	-112.19
Dipole, Da:	9.82
IP(EA), eV:	-8.7(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,16S)-5lambda6,12lambda6-dithiapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),3,6,8,10,17-hexaene 5,5,12,12-tetraoxide

Drug info:

PubChemData

Smile

CC1=C2C(=C(C(=C1N3CCNCC3)F)N)C(=O)C(=CN2C4CC4)C(=O)O

DOS

IR

Vibrations