Geometry & MOs

Info

ID:	222705
PubChem CID:	85331227
Reduced:	SN6C22H22 (1)
Stoich.:	AB6C22D22 (1)
Weight, g/mol:	446.19442
ΔH_f, kcal/mol:	135.98
Dipole, Da:	3.49
IP(EA), eV:	-8.32(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC1C2CC(NN2)NC3=NC(=NC4=CC=CC=C43)NC5=CC6=C(C=C5)C=CS6

DOS

IR

Vibrations