Geometry & MOs

Info

ID:	227769
PubChem CID:	87562439
Reduced:	S2O4N7C23H27 (1)
Stoich.:	A2B4C7D23E27 (1)
Weight, g/mol:	239.046154
ΔH_f, kcal/mol:	-47.52
Dipole, Da:	3.93
IP(EA), eV:	-9.17(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)C4=CC(=CN=C4)N(C)S(=O)(=O)C

DOS

IR

Vibrations