Geometry & MOs

Info

ID:	44569
PubChem CID:	10504100
Reduced:	O2S2N4C23H30 (1)
Stoich.:	A2B2C4D23E30 (1)
Weight, g/mol:	458.251992
ΔH_f, kcal/mol:	-27.31
Dipole, Da:	1.99
IP(EA), eV:	-8.55(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6R,7S,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCN3CCC(CC3)C4=CC=CC=C4OC)N)C

DOS

IR

Vibrations