Geometry & MOs

Info

ID:	225800
PubChem CID:	87226232
Reduced:	SO2N3H25C28 (1)
Stoich.:	AB2C3D25E28 (1)
Weight, g/mol:	624.74179
ΔH_f, kcal/mol:	48.95
Dipole, Da:	1.04
IP(EA), eV:	-8.36(-0.82)
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=C(C=C4)OC5=CC=CC=C5

DOS

IR

Vibrations