Geometry & MOs

Info

ID:	237750
PubChem CID:	92721267
Reduced:	O2S2N3C24H35 (1)
Stoich.:	A2B2C3D24E35 (1)
Weight, g/mol:	486.302848
ΔH_f, kcal/mol:	-76.08
Dipole, Da:	5.73
IP(EA), eV:	-8.52(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11R)-N-cycloheptyl-10-[3-(dipropylamino)propyl]-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

CCCSCCCN1C(=O)C2=CC3=C(N2C[C@@]1(C)C(=O)NC4CCCCCC4)C=CS3

DOS

IR

Vibrations