Geometry & MOs

Info

ID:	443459
PubChem CID:	135259103
Reduced:	NO2F6C25H27 (1)
Stoich.:	AB2C6D25E27 (1)
Weight, g/mol:	412.120526
ΔH_f, kcal/mol:	-384.21
Dipole, Da:	5.67
IP(EA), eV:	-9.21(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2[C@H](CC[C@H]3[C@H]2CNC3)O[C@@H](CO)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations