Geometry & MOs

Info

ID:	148183
PubChem CID:	53787845
Reduced:	ON2H11C14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	503.175789
ΔH_f, kcal/mol:	39.92
Dipole, Da:	3.62
IP(EA), eV:	-8.68(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-chloro-4-(5-methyltetrazol-1-yl)phenyl]sulfanylbutoxy]-6-(1-nitrosopropyl)-2-propylphenol

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C(=O)C1NC(=O)C3=NC=C4C(=C3)C5=CC=CC=C5N4)C6=CC=CC=C6

DOS

IR

Vibrations