Geometry & MOs

Info

ID:	121103
PubChem CID:	50756080
Reduced:	SN3O4C25H27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	463.229348
ΔH_f, kcal/mol:	-93.59
Dipole, Da:	7.37
IP(EA), eV:	-8.47(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(3-phenylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CC1(CN2C3=C(C=C2C(=O)N1CC4=CC5=C(C=C4)OCO5)SC=C3)C(=O)NC6CCCCC6

DOS

IR

Vibrations