Geometry & MOs

Info

ID:	297458
PubChem CID:	117618312
Reduced:	O4N6H20C21 (1)
Stoich.:	A4B6C20D21 (1)
Weight, g/mol:	458.183316
ΔH_f, kcal/mol:	-52.43
Dipole, Da:	8.81
IP(EA), eV:	-8.76(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-[2-[2-chloro-5-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]imidazo[1,2-a]pyrimidin-6-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(OC=N1)C(=O)NC2=CC=CC(=C2)C3=CN4C=C(C=NC4=N3)NC(=O)OC(C)C

DOS

IR

Vibrations