Geometry & MOs

Info

ID:	80948
PubChem CID:	49854032
Reduced:	F2O2N5H15C16 (1)
Stoich.:	A2B2C5D15E16 (1)
Weight, g/mol:	429.194694
ΔH_f, kcal/mol:	-91.05
Dipole, Da:	5.17
IP(EA), eV:	-9.36(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[8-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-5-methylpyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)N=C(N2)CC3=NC4=C(N3)C=CC(=C4F)F

DOS

IR

Vibrations