Geometry & MOs

Info

ID:	144467
PubChem CID:	53373550
Reduced:	SO4N6C25H30 (1)
Stoich.:	AB4C6D25E30 (1)
Weight, g/mol:	319.204848
ΔH_f, kcal/mol:	-67.31
Dipole, Da:	3.99
IP(EA), eV:	-8.95(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,12-dimethyl-3-(1-methylpyrrol-3-yl)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraene

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)NC1=CC=CC(=C1)C2=CC=C(C=C2)N3C(=NNC3=O)C[C@@H]4CCN(C4)C(=O)C5CC5

DOS

IR

Vibrations