Geometry & MOs

Info

ID:	121107
PubChem CID:	50756136
Reduced:	SN3O3C26H31 (1)
Stoich.:	AB3C3D26E31 (1)
Weight, g/mol:	439.172976
ΔH_f, kcal/mol:	-77.89
Dipole, Da:	2.38
IP(EA), eV:	-8.47(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-10-(3-fluorophenyl)-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

CCOC1=CC=C(C=C1)CN2C(=O)C3=CC4=C(N3CC2(C)C(=O)NC5CCCCC5)C=CS4

DOS

IR

Vibrations