Geometry & MOs

Info

ID:	80969
PubChem CID:	49854154
Reduced:	FSO2N7C19H24 (1)
Stoich.:	ABC2D7E19F24 (1)
Weight, g/mol:	429.194694
ΔH_f, kcal/mol:	-78.68
Dipole, Da:	3.69
IP(EA), eV:	-8.56(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C2CCC3=C(C2=N1)SC(=N3)NC(=O)N4C[C@@H](C[C@H]4C(=O)N)F

DOS

IR

Vibrations