Geometry & MOs

Info

ID:	121282
PubChem CID:	50761661
Reduced:	SO4N5C24H27 (1)
Stoich.:	AB4C5D24E27 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	-76.41
Dipole, Da:	3.15
IP(EA), eV:	-8.81(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-3-(7-oxo-8-propyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)propanamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCC(=O)NC(C)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations