Geometry & MOs

Info

ID:	297463
PubChem CID:	117618515
Reduced:	FO3N7H22C23 (1)
Stoich.:	AB3C7D22E23 (1)
Weight, g/mol:	477.192466
ΔH_f, kcal/mol:	-39.44
Dipole, Da:	4.21
IP(EA), eV:	-8.76(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl N'-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamimidate

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)NC2=CC(=C(C=C2)F)C3=CN4C=C(C=NC4=N3)NC5=NCC(O5)(C)C

DOS

IR

Vibrations