Geometry & MOs

Info

ID:	435731
PubChem CID:	135192261
Reduced:	NSH29C37 (1)
Stoich.:	ABC29D37 (1)
Weight, g/mol:	530.1641
ΔH_f, kcal/mol:	189.71
Dipole, Da:	3.42
IP(EA), eV:	-7.64(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(6-bromo-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=CC=CC=C75

DOS

IR

Vibrations