Geometry & MOs

Info

ID:	42186
PubChem CID:	8149283
Reduced:	O2S2N4C19H22 (1)
Stoich.:	A2B2C4D19E22 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-31.32
Dipole, Da:	6.35
IP(EA), eV:	-8.58(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NCCCN4CCCC4=O

DOS

IR

Vibrations