Geometry & MOs

Info

ID:	231136
PubChem CID:	87572737
Reduced:	ClNSO3C35H36 (1)
Stoich.:	ABCD3E35F36 (1)
Weight, g/mol:	334.046882
ΔH_f, kcal/mol:	-50.01
Dipole, Da:	4.88
IP(EA), eV:	-8.6(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorofuro[3,2-d]pyrimidin-4-yl)amino]-5,6-dioxobicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC1(CC1)CS[C@H](CCC2=CC=CC=C2C(C)(C)O)C3=CC=CC(=C3)/C=C/C4=NC5=C(C=CC(=C5)Cl)C=C4

DOS

IR

Vibrations