Geometry & MOs

Info

ID:	121106
PubChem CID:	50756135
Reduced:	ClSO2N3C24H26 (1)
Stoich.:	ABC2D3E24F26 (1)
Weight, g/mol:	465.208613
ΔH_f, kcal/mol:	-42.24
Dipole, Da:	6.6
IP(EA), eV:	-8.52(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-10-[(4-ethoxyphenyl)methyl]-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

CC1=C(C=C(C=C1)Cl)N2C(=O)C3=CC4=C(N3CC2(C)C(=O)NC5CCCCC5)C=CS4

DOS

IR

Vibrations