Geometry & MOs

Info

ID:	80933
PubChem CID:	49853945
Reduced:	SO4N5C28H31 (1)
Stoich.:	AB4C5D28E31 (1)
Weight, g/mol:	429.194694
ΔH_f, kcal/mol:	-42.43
Dipole, Da:	3.29
IP(EA), eV:	-9.28(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=NN=C(O1)C2=CC=C(C=C2)OC3=CC(=CC(=C3)OCC4CCCNC4)C(=O)NC5=NC=CS5

DOS

IR

Vibrations