Geometry & MOs

Info

ID:	310132
PubChem CID:	126575011
Reduced:	SO2N3C26H27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	-35.67
Dipole, Da:	2.62
IP(EA), eV:	-8.77(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)C4(CCCC4)CC5=CC=CC=C53

DOS

IR

Vibrations