Geometry & MOs

Info

ID:	180176
PubChem CID:	76590167
Reduced:	O2N4C9H16 (1)
Stoich.:	A2B4C9D16 (1)
Weight, g/mol:	581.202065
ΔH_f, kcal/mol:	-64.84
Dipole, Da:	0.89
IP(EA), eV:	-9.66(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamothioylamino]phenoxy]pyrimidin-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C=NN1CC(=O)NC1=O)N

DOS

IR

Vibrations