Geometry & MOs

Info

ID:	227649
PubChem CID:	87562162
Reduced:	S2N3O3H15C16 (1)
Stoich.:	A2B3C3D15E16 (1)
Weight, g/mol:	264.070578
ΔH_f, kcal/mol:	-59.44
Dipole, Da:	7.45
IP(EA), eV:	-8.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chrysene;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC4=C(CNS4(O)O)C=C3

DOS

IR

Vibrations