Geometry & MOs

Info

ID:	81020
PubChem CID:	49854260
Reduced:	SO2N8C21H30 (1)
Stoich.:	AB2C8D21E30 (1)
Weight, g/mol:	491.210344
ΔH_f, kcal/mol:	-26.45
Dipole, Da:	7.57
IP(EA), eV:	-8.15(-0.69)
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-phenylpyrrolidine-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)N(C)C

DOS

IR

Vibrations