Geometry & MOs

Info

ID:	127814
PubChem CID:	51017023
Reduced:	SN2O7C38H54 (1)
Stoich.:	AB2C7D38E54 (1)
Weight, g/mol:	232.16346
ΔH_f, kcal/mol:	-260.62
Dipole, Da:	13.69
IP(EA), eV:	-8.77(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6S,8R)-4-buta-1,3-dien-2-yl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]3[C@@H]4C[C@]([C@@H]2[C@]3(N(C4)C(=O)OC)COC)(CCCCCCCCCC=O)COCC5=CC=CC=C5

DOS

IR

Vibrations