Geometry & MOs

Info

ID:	67808
PubChem CID:	46507206
Reduced:	OS2N3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	301.052112
ΔH_f, kcal/mol:	34.65
Dipole, Da:	4.3
IP(EA), eV:	-8.89(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-7-phenyl-2-sulfanylidene-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)acetic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(S3)N=CC=C4)NC2=S

DOS

IR

Vibrations