Geometry & MOs

Info

ID:	392663
PubChem CID:	135017553
Reduced:	O6N7H9C18 (1)
Stoich.:	A6B7C9D18 (1)
Weight, g/mol:	558.214353
ΔH_f, kcal/mol:	-13.03
Dipole, Da:	9.44
IP(EA), eV:	-10.48(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2,4,6-triethyl-3,5-bis[(3-methoxy-3-oxopropyl)sulfanylmethyl]phenyl]methylsulfanyl]propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C3=NC(=O)NC(=O)N23)C4=NN=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations