Geometry & MOs

Info

ID:	176968
PubChem CID:	76119236
Reduced:	NO4C29H41 (1)
Stoich.:	AB4C29D41 (1)
Weight, g/mol:	443.144098
ΔH_f, kcal/mol:	-189.74
Dipole, Da:	5.27
IP(EA), eV:	-8.52(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(2-amino-4-oxo-4aH-pyrrolo[3,2-d]pyrimidin-5-yl)but-1-en-2-yl]furan-2-carbonyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CCOC(=O)C=C(C)C=CC1CC1(C)C2=CC3=C(C=C2C)N(CCC3(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations