Geometry & MOs

Info

ID:	144005
PubChem CID:	53298292
Reduced:	SO3N4C14H18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	274.09938
ΔH_f, kcal/mol:	-84.28
Dipole, Da:	5.95
IP(EA), eV:	-9.38(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2=C(NC(=C2C)C(=O)OCC)C

DOS

IR

Vibrations