Geometry & MOs

Info

ID:	80903
PubChem CID:	49853844
Reduced:	SN3O6C27H41 (1)
Stoich.:	AB3C6D27E41 (1)
Weight, g/mol:	443.210344
ΔH_f, kcal/mol:	-261.12
Dipole, Da:	4.59
IP(EA), eV:	-8.67(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)-4-(dimethylamino)pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@H]1CCNS(=O)(=O)C2=CC3=C(CCN(C3)CC4CCCCC4)C=C2.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations