Geometry & MOs

Info

ID:	151224
PubChem CID:	53790924
Reduced:	S3N4O4C22H28 (1)
Stoich.:	A3B4C4D22E28 (1)
Weight, g/mol:	276.11503
ΔH_f, kcal/mol:	-85.8
Dipole, Da:	7.58
IP(EA), eV:	-9.03(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-1,2-dihydrochrysene-1,2-diol

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC(C)C)NS(=O)(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=CS3

DOS

IR

Vibrations