Geometry & MOs

Info

ID:	84655
PubChem CID:	49869140
Reduced:	O2S2N6H10C13 (1)
Stoich.:	A2B2C6D10E13 (1)
Weight, g/mol:	284.188863
ΔH_f, kcal/mol:	85.54
Dipole, Da:	4.73
IP(EA), eV:	-8.92(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-diazatricyclo[4.3.1.13,8]undecan-4-yl-(2,3-dimethylphenyl)methanone

Drug info:

PubChemData

Smile

CS(=O)CN1C(=O)N2C=NC(=C2N=N1)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations