Geometry & MOs

Info

ID:	185910
PubChem CID:	77367780
Reduced:	ClSN3O3C26H30 (1)
Stoich.:	ABC3D3E26F30 (1)
Weight, g/mol:	435.179421
ΔH_f, kcal/mol:	-90.65
Dipole, Da:	7.62
IP(EA), eV:	-8.43(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[[benzyl(methyl)amino]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;but-2-enedioic acid

Drug info:

PubChemData

Smile

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)CCCC(=O)NC(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations