Geometry & MOs

Info

ID:	230589
PubChem CID:	87571439
Reduced:	F2S2N4O4H18C23 (1)
Stoich.:	A2B2C4D4E18F23 (1)
Weight, g/mol:	328.092003
ΔH_f, kcal/mol:	-79.57
Dipole, Da:	9.35
IP(EA), eV:	-9.12(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(2-amino-4-ethoxy-5H-pteridin-6-ylidene)-2-nitrocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)C2=CC=C(C=C2)C(C(=O)NC3=NC=C(S3)N4C=CC=N4)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations