Geometry & MOs

Info

ID:	441445
PubChem CID:	135234693
Reduced:	NSC5H14 (2)
Stoich.:	ABC5D14 (2)
Weight, g/mol:	475.167811
ΔH_f, kcal/mol:	42.76
Dipole, Da:	3.4
IP(EA), eV:	-6.87(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

Drug info:

PubChemData

Smile

CN(C)S(C)(C)CCS(C)(C)N(C)C

DOS

IR

Vibrations