Geometry & MOs

Info

ID:	225779
PubChem CID:	87226057
Reduced:	ClOSN3H20C22 (1)
Stoich.:	ABCD3E20F22 (1)
Weight, g/mol:	170.090546
ΔH_f, kcal/mol:	53.34
Dipole, Da:	2.74
IP(EA), eV:	-8.66(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1OC2=C(C=CC=N2)NC3=NC4=C(S3)C=CC=C4Cl

DOS

IR

Vibrations