Geometry & MOs

Info

ID:	185992
PubChem CID:	77374971
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	475.152555
ΔH_f, kcal/mol:	-107.69
Dipole, Da:	5.2
IP(EA), eV:	-8.47(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[3-(2-amino-4-oxo-1,4a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)pentan-3-yl]thiophene-2-carbonyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CN(CCC1=CC2=C(C=C1)C(NC2)N(C)S(=O)O)CC3CCCC4=C3C=CC5=C4OCO5

DOS

IR

Vibrations