Geometry & MOs

Info

ID:	156346
PubChem CID:	56370207
Reduced:	OF2N4C23H32 (1)
Stoich.:	AB2C4D23E32 (1)
Weight, g/mol:	460.196669
ΔH_f, kcal/mol:	-123.01
Dipole, Da:	6.75
IP(EA), eV:	-9.03(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cycloheptylpyrrolidin-3-yl)-2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1CCN(C1)C2CCCCCC2)N3C=NC4=CC(=C(C=C43)F)F

DOS

IR

Vibrations