Geometry & MOs

Info

ID:	185371
PubChem CID:	77290305
Reduced:	O3N5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	413.00766
ΔH_f, kcal/mol:	-85.81
Dipole, Da:	4.36
IP(EA), eV:	-8.43(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-amine;hydrochloride

Drug info:

PubChemData

Smile

CN1CCC(C1)NC(=O)OC2CCN(C2)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

DOS

IR

Vibrations