Geometry & MOs

Info

ID:	173085
PubChem CID:	75594305
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	356.094312
ΔH_f, kcal/mol:	-25.51
Dipole, Da:	4.83
IP(EA), eV:	-9.02(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl)-4-phenyl-1,3-thiazole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN(CC=C)C(=O)C(CC2=CC=CC=C2)N

DOS

IR

Vibrations