Geometry & MOs

Info

ID:	379419
PubChem CID:	134419388
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	516.215673
ΔH_f, kcal/mol:	-2.88
Dipole, Da:	3.98
IP(EA), eV:	-9.69(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19-tert-butyl-20-methyl-21-oxa-7,8-dithiapentacyclo[23.3.1.114,18.05,28.010,15]triaconta-1(28),2,4,10,12,14,16,18(30),25(29),26-decaen-20-ol

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=NC=C(C=C1)C2=CC=C(S2)C(=O)NC)(C3=CN=CN=C3)O

DOS

IR

Vibrations