Geometry & MOs

Info

ID:	310312
PubChem CID:	126578514
Reduced:	O5N8C13H16 (1)
Stoich.:	A5B8C13D16 (1)
Weight, g/mol:	941.873568
ΔH_f, kcal/mol:	-99.34
Dipole, Da:	5.16
IP(EA), eV:	-9.17(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,4-dimethyl-1-(1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecachloro-15-methylhexadecoxy)pentan-2-yl]oxymethylbenzene

Drug info:

PubChemData

Smile

CC1=NC(=C2C(=CN(C2=N1)[C@H]3[C@@H]([C@@H]([C@](O3)(CO)N=[N+]=[N-])O)O)C(=O)N)N

DOS

IR

Vibrations