Geometry & MOs

Info

ID:	314312
PubChem CID:	126621270
Reduced:	BrS2N3O3C15H22 (1)
Stoich.:	AB2C3D3E15F22 (1)
Weight, g/mol:	620.29266
ΔH_f, kcal/mol:	-28.8
Dipole, Da:	4.29
IP(EA), eV:	-7.23(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylnaphthalen-1-yl)-4-[3-methyl-4-(2-phenyl-1,3-dioxan-2-yl)naphthalen-1-yl]-2-phenyl-1,3-dioxepane

Drug info:

PubChemData

Smile

CS(C)(C)CCOCN1C(=NC(=N1)C2=CC=C(C=C2)Br)S(=O)(=O)C

DOS

IR

Vibrations