Geometry & MOs

Info

ID:	360269
PubChem CID:	127300912
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	14.33
Dipole, Da:	3.2
IP(EA), eV:	-9.04(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)N4CCN5C(=NN=C5C(C)C)C4

DOS

IR

Vibrations