Geometry & MOs

Info

ID:	391513
PubChem CID:	135006059
Reduced:	NSO2C18H23 (1)
Stoich.:	ABC2D18E23 (1)
Weight, g/mol:	466.225643
ΔH_f, kcal/mol:	-31.26
Dipole, Da:	5.37
IP(EA), eV:	-9.26(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-phenyl-6-[4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(/C(=C\C3CC3)/C2)C(=C)C

DOS

IR

Vibrations