Geometry & MOs

Info

ID:	366276
PubChem CID:	127319733
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	394.113333
ΔH_f, kcal/mol:	-33.37
Dipole, Da:	2.05
IP(EA), eV:	-9.27(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)N2CCN3C=CN=C3C2)NC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations