Geometry & MOs

Info

ID:	46900
PubChem CID:	10528256
Reduced:	S2N3O7C18H33 (1)
Stoich.:	A2B3C7D18E33 (1)
Weight, g/mol:	468.01956
ΔH_f, kcal/mol:	-356.31
Dipole, Da:	5.42
IP(EA), eV:	-9.47(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(4-iodophenyl)-12-(4-methoxyphenyl)-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

Drug info:

PubChemData

Smile

CC(=O)S[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)S(=O)(=O)NC

DOS

IR

Vibrations