Geometry & MOs

Info

ID:	227413
PubChem CID:	87561713
Reduced:	SO3N6C22H24 (1)
Stoich.:	AB3C6D22E24 (1)
Weight, g/mol:	504.125494
ΔH_f, kcal/mol:	-14.68
Dipole, Da:	4.14
IP(EA), eV:	-9.13(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)C4=CN=CC(=C4)CO

DOS

IR

Vibrations