Geometry & MOs

Info

ID:	121109
PubChem CID:	50756179
Reduced:	SO2N3C26H31 (1)
Stoich.:	AB2C3D26E31 (1)
Weight, g/mol:	445.239913
ΔH_f, kcal/mol:	-38.99
Dipole, Da:	7.1
IP(EA), eV:	-8.4(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)N2C(=O)C3=CC4=C(N3CC2(C)C(=O)NC5CCCC5)C=CS4

DOS

IR

Vibrations