Geometry & MOs

Info

ID:	230177
PubChem CID:	87570360
Reduced:	SO3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	324.133474
ΔH_f, kcal/mol:	-104.07
Dipole, Da:	10.07
IP(EA), eV:	-8.35(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-(2-amino-4-morpholin-4-yl-5H-pteridin-6-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1(C(C1C(=O)O)C=S2CCCC2=O)C

DOS

IR

Vibrations