Geometry & MOs

Info

ID:	218707
PubChem CID:	85089841
Reduced:	N2O7C27H34 (1)
Stoich.:	A2B7C27D34 (1)
Weight, g/mol:	496.232185
ΔH_f, kcal/mol:	-253.95
Dipole, Da:	4.63
IP(EA), eV:	-8.48(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[4-[3-(2-amino-4-oxo-6,7-dihydrocyclopenta[d]pyrimidin-5-yl)propyl]benzoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)C1CC2=CC=C(C=C2)OC3=C(C=CC(=C3)CC(N(C1=O)C)C(=O)OC)OC

DOS

IR

Vibrations