Geometry & MOs

Info

ID:	327573
PubChem CID:	126690396
Reduced:	ClBr2S4N10O14H31C40 (1)
Stoich.:	AB2C4D10E14F31G40 (1)
Weight, g/mol:	194.167065
ΔH_f, kcal/mol:	-280.22
Dipole, Da:	9.54
IP(EA), eV:	-8.64(-2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5Z)-3-methoxy-8,8-dimethyl-7-methylidenenona-3,5-diene

Drug info:

Smile

CC1=CC(=C(C=C1N=NC2=CC3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OC)N=NC4=C5C=CC=C(C5=C(C=C4)NC6=NC(=NC(=N6)NC7=CC=CC(=C7)NCOC(=CBr)Br)Cl)S(=O)(=O)O

DOS

IR

Vibrations