Geometry & MOs

Info

ID:	180102
PubChem CID:	76577964
Reduced:	SN2O2H7C10 (2)
Stoich.:	AB2C2D7E10 (2)
Weight, g/mol:	604.341341
ΔH_f, kcal/mol:	-32.2
Dipole, Da:	8.34
IP(EA), eV:	-8.74(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(5-phenylpentoxy)phenyl]-2-[2-[4-(tetrazolidin-5-yl)phenyl]ethyl]but-3-enyl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC2=C1C=CS2(=O)=O)NCC3=CN=C4N3C=C(C=C4)C=C5C(=O)NC(=O)S5

DOS

IR

Vibrations