Geometry & MOs

Info

ID:	312514
PubChem CID:	126606165
Reduced:	INOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	361.064489
ΔH_f, kcal/mol:	18.81
Dipole, Da:	1.87
IP(EA), eV:	-8.29(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-7-[(4S)-4-nitroso-5-(nitrosomethyl)oxolan-2-yl]-4-thiophen-2-ylpyrrolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=NC2=C(C=C1)OC)C)I

DOS

IR

Vibrations