Geometry & MOs

Info

ID:	410659
PubChem CID:	135083460
Reduced:	BC30H38 (1)
Stoich.:	AB30C38 (1)
Weight, g/mol:	468.236802
ΔH_f, kcal/mol:	54.83
Dipole, Da:	7.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.904150
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[(3S,4R)-5-(1,3-dithian-2-yl)-4-[(4-methoxyphenyl)methoxy]-3-methylpentyl]-2,2,4,4-tetramethyl-1,3-dioxolane

Drug info:

PubChemData

Smile

[B-](CC=C)(C1=C(C=C(C=C1C)C)C)(C2=C(C=C(C=C2C)C)C)C3=C(C=C(C=C3C)C)C

DOS

IR

Vibrations