Geometry & MOs

Info

ID:	84536
PubChem CID:	49867397
Reduced:	O7N9C28H39 (1)
Stoich.:	A7B9C28D39 (1)
Weight, g/mol:	297.079665
ΔH_f, kcal/mol:	-259.07
Dipole, Da:	4.2
IP(EA), eV:	-8.61(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C(=O)N[C@@H](CCC#N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N)O

DOS

IR

Vibrations