Geometry & MOs

Info

ID:	149050
PubChem CID:	53788721
Reduced:	SN3O5C25H29 (1)
Stoich.:	AB3C5D25E29 (1)
Weight, g/mol:	282.234751
ΔH_f, kcal/mol:	-118.23
Dipole, Da:	4.24
IP(EA), eV:	-8.25(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(2-methylpropyl)hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-2-ene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NNS(=O)OC2=C(C=CC(=C2)NC(=O)C(C)OC3=C(C=C(C=C3)C)C)OC

DOS

IR

Vibrations